Browse entries in the PDBbind-CN Database
HEADER 6M7H_COMPLEX COMPND 6M7H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 144 LEU THR GLU GLU GLN ILE ALA GLU PHE LYS GLU ALA PHE SEQRES 2 A 144 SER LEU PHE ASP LYS ASP GLY ASP GLY THR ILE THR THR SEQRES 3 A 144 LYS GLU LEU GLY THR VAL MSE ARG SER LEU GLY GLN ASN SEQRES 4 A 144 PRO THR GLU ALA GLU LEU GLN ASP MSE ILE ASN GLU VAL SEQRES 5 A 144 ASP ALA ASP GLY ASN GLY THR ILE ASP PHE PRO GLU PHE SEQRES 6 A 144 LEU THR MSE MSE ALA ARG LYS MET LYS ASP THR ASP SER SEQRES 7 A 144 GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL PHE ASP LYS SEQRES 8 A 144 ASP GLY ASN GLY TYR ILE SER ALA ALA GLU LEU ARG HIS SEQRES 9 A 144 VAL MSE THR ASN LEU GLY GLU LYS LEU THR ASP GLU GLU SEQRES 10 A 144 VAL ASP GLU MSE ILE ARG GLU ALA ASP ILE ASP GLY ASP SEQRES 11 A 144 GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN MSE MSE THR SEQRES 12 A 144 ALA HET MSE A 36 9 HET MSE A 51 9 HET MSE A 71 9 HET MSE A 72 9 HET MSE A 109 9 HET MSE A 124 9 HET MSE A 144 9 HET MSE A 145 9 HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET KN A 9 66 ATOM 1 N LEU A 4 14.924 12.987 143.550 1.00 47.30 N ATOM 2 CA LEU A 4 13.872 12.506 144.442 1.00 37.29 C ATOM 3 C LEU A 4 13.411 11.089 144.089 1.00 43.83 C ATOM 4 O LEU A 4 13.461 10.673 142.922 1.00 55.13 O ATOM 5 CB LEU A 4 12.675 13.465 144.419 1.00 41.01 C ATOM 6 CG LEU A 4 12.290 13.968 143.028 1.00 38.53 C ATOM 7 HN3 LEU A 4 14.570 12.998 142.572 1.00 0.00 H ATOM 8 HN2 LEU A 4 15.747 12.355 143.615 1.00 0.00 H ATOM 9 HN1 LEU A 4 15.201 13.949 143.830 1.00 0.00 H ATOM 10 N THR A 5 12.982 10.350 145.109 1.00 39.74 N ATOM 11 CA THR A 5 12.294 9.076 144.945 1.00 32.83 C ATOM 12 C THR A 5 10.800 9.267 145.171 1.00 47.96 C ATOM 13 O THR A 5 10.347 10.306 145.657 1.00 44.31 O ATOM 14 CB THR A 5 12.820 8.022 145.926 1.00 39.46 C ATOM 15 OG1 THR A 5 12.680 8.508 147.270 1.00 53.43 O ATOM 16 CG2 THR A 5 14.276 7.686 145.643 1.00 38.64 C ATOM 17 HG1 THR A 5 13.020 7.827 147.903 1.00 0.00 H ATOM 18 H THR A 5 13.146 10.700 146.074 1.00 0.00 H ATOM 19 N GLU A 6 10.029 8.237 144.818 1.00 37.74 N ATOM 20 CA GLU A 6 8.593 8.297 145.057 1.00 36.96 C ATOM 21 C GLU A 6 8.299 8.414 146.546 1.00 34.55 C ATOM 22 O GLU A 6 7.411 9.168 146.957 1.00 42.15 O ATOM 23 CB GLU A 6 7.908 7.067 144.458 1.00 45.07 C ATOM 24 CG GLU A 6 6.419 6.979 144.739 1.00 46.80 C ATOM 25 CD GLU A 6 5.648 6.259 143.643 1.00 46.24 C ATOM 26 OE1 GLU A 6 6.237 5.967 142.582 1.00 49.55 O ATOM 27 OE2 GLU A 6 4.445 5.991 143.844 1.00 48.92 O ATOM 28 H GLU A 6 10.451 7.396 144.375 1.00 0.00 H ATOM 29 N GLU A 7 9.060 7.698 147.375 1.00 39.47 N ATOM 30 CA GLU A 7 8.803 7.695 148.811 1.00 37.93 C ATOM 31 C GLU A 7 9.340 8.945 149.501 1.00 30.63 C ATOM 32 O GLU A 7 8.794 9.354 150.532 1.00 38.34 O ATOM 33 CB GLU A 7 9.385 6.433 149.455 1.00 41.13 C ATOM 34 CG GLU A 7 9.206 5.167 148.627 1.00 47.91 C ATOM 35 CD GLU A 7 10.179 5.082 147.464 1.00 47.88 C ATOM 36 OE1 GLU A 7 11.304 5.614 147.583 1.00 52.07 O ATOM 37 OE2 GLU A 7 9.806 4.506 146.422 1.00 52.16 O ATOM 38 H GLU A 7 9.846 7.135 146.993 1.00 0.00 H ATOM 39 N GLN A 8 10.393 9.565 148.966 1.00 33.58 N ATOM 40 CA GLN A 8 10.808 10.858 149.497 1.00 31.68 C ATOM 41 C GLN A 8 9.710 11.902 149.291 1.00 35.51 C ATOM 42 O GLN A 8 9.387 12.673 150.204 1.00 35.24 O ATOM 43 CB GLN A 8 12.119 11.306 148.844 1.00 35.76 C ATOM 44 H GLN A 8 10.913 9.130 148.177 1.00 0.00 H ATOM 45 N ILE A 9 9.118 11.930 148.095 1.00 32.30 N ATOM 46 CA ILE A 9 8.018 12.854 147.832 1.00 35.91 C ATOM 47 C ILE A 9 6.868 12.597 148.791 1.00 31.84 C ATOM 48 O ILE A 9 6.301 13.532 149.368 1.00 31.10 O ATOM 49 CB ILE A 9 7.569 12.745 146.363 1.00 33.24 C ATOM 50 CG1 ILE A 9 8.698 13.206 145.451 1.00 26.25 C ATOM 51 CG2 ILE A 9 6.318 13.575 146.114 1.00 26.49 C ATOM 52 CD1 ILE A 9 8.635 12.623 144.070 1.00 40.40 C ATOM 53 H ILE A 9 9.443 11.288 147.344 1.00 0.00 H ATOM 54 N ALA A 10 6.512 11.325 148.991 1.00 26.05 N ATOM 55 CA ALA A 10 5.405 11.011 149.888 1.00 27.80 C ATOM 56 C ALA A 10 5.742 11.386 151.322 1.00 30.37 C ATOM 57 O ALA A 10 4.888 11.899 152.055 1.00 28.10 O ATOM 58 CB ALA A 10 5.050 9.530 149.786 1.00 32.11 C ATOM 59 H ALA A 10 7.024 10.559 148.508 1.00 0.00 H ATOM 60 N GLU A 11 6.981 11.126 151.740 1.00 34.74 N ATOM 61 CA GLU A 11 7.447 11.583 153.043 1.00 36.68 C ATOM 62 C GLU A 11 7.291 13.093 153.179 1.00 30.67 C ATOM 63 O GLU A 11 6.783 13.594 154.188 1.00 31.68 O ATOM 64 CB GLU A 11 8.906 11.169 153.229 1.00 36.51 C ATOM 65 CG GLU A 11 9.587 11.781 154.424 1.00 43.58 C ATOM 66 CD GLU A 11 11.066 11.440 154.476 1.00 48.75 C ATOM 67 OE1 GLU A 11 11.441 10.365 153.959 1.00 53.97 O ATOM 68 OE2 GLU A 11 11.850 12.242 155.024 1.00 46.38 O ATOM 69 H GLU A 11 7.626 10.588 151.126 1.00 0.00 H ATOM 70 N PHE A 12 7.705 13.835 152.153 1.00 32.56 N ATOM 71 CA PHE A 12 7.668 15.289 152.247 1.00 26.77 C ATOM 72 C PHE A 12 6.239 15.827 152.233 1.00 27.32 C ATOM 73 O PHE A 12 5.946 16.820 152.905 1.00 28.81 O ATOM 74 CB PHE A 12 8.491 15.897 151.112 1.00 34.30 C ATOM 75 CG PHE A 12 9.976 15.677 151.254 1.00 41.47 C ATOM 76 CD1 PHE A 12 10.598 15.825 152.485 1.00 38.19 C ATOM 77 CD2 PHE A 12 10.744 15.327 150.157 1.00 39.48 C ATOM 78 CE1 PHE A 12 11.964 15.626 152.618 1.00 48.39 C ATOM 79 CE2 PHE A 12 12.108 15.118 150.282 1.00 41.73 C ATOM 80 CZ PHE A 12 12.718 15.272 151.516 1.00 39.84 C ATOM 81 H PHE A 12 8.054 13.378 151.287 1.00 0.00 H ATOM 82 N LYS A 13 5.338 15.193 151.486 1.00 28.07 N ATOM 83 CA LYS A 13 3.966 15.680 151.459 1.00 25.33 C ATOM 84 C LYS A 13 3.299 15.516 152.819 1.00 24.88 C ATOM 85 O LYS A 13 2.534 16.390 153.253 1.00 26.59 O ATOM 86 CB LYS A 13 3.182 14.961 150.362 1.00 27.03 C ATOM 87 CG LYS A 13 1.845 15.598 150.032 1.00 35.27 C ATOM 88 CD LYS A 13 0.895 14.602 149.373 1.00 38.00 C ATOM 89 CE LYS A 13 1.625 13.724 148.375 1.00 41.26 C ATOM 90 NZ LYS A 13 0.841 12.502 148.031 1.00 46.02 N ATOM 91 HZ1 LYS A 13 0.673 11.945 148.893 1.00 0.00 H ATOM 92 HZ2 LYS A 13 -0.070 12.782 147.614 1.00 0.00 H ATOM 93 HZ3 LYS A 13 1.376 11.930 147.347 1.00 0.00 H ATOM 94 H LYS A 13 5.611 14.359 150.928 1.00 0.00 H ATOM 95 N GLU A 14 3.589 14.416 153.520 1.00 24.72 N ATOM 96 CA GLU A 14 2.985 14.238 154.836 1.00 28.19 C ATOM 97 C GLU A 14 3.565 15.222 155.837 1.00 29.43 C ATOM 98 O GLU A 14 2.840 15.740 156.693 1.00 27.78 O ATOM 99 CB GLU A 14 3.176 12.806 155.330 1.00 38.22 C ATOM 100 CG GLU A 14 2.127 12.374 156.345 1.00 42.46 C ATOM 101 CD GLU A 14 0.945 11.691 155.692 1.00 50.14 C ATOM 102 OE1 GLU A 14 -0.044 12.389 155.389 1.00 57.29 O ATOM 103 OE2 GLU A 14 1.011 10.459 155.468 1.00 55.04 O ATOM 104 H GLU A 14 4.235 13.698 153.134 1.00 0.00 H ATOM 105 N ALA A 15 4.875 15.472 155.759 1.00 27.61 N ATOM 106 CA ALA A 15 5.471 16.500 156.603 1.00 24.39 C ATOM 107 C ALA A 15 4.780 17.839 156.385 1.00 24.55 C ATOM 108 O ALA A 15 4.466 18.547 157.343 1.00 23.97 O ATOM 109 CB ALA A 15 6.963 16.618 156.321 1.00 26.35 C ATOM 110 H ALA A 15 5.469 14.934 155.097 1.00 0.00 H ATOM 111 N PHE A 16 4.514 18.184 155.126 1.00 24.99 N ATOM 112 CA PHE A 16 3.811 19.426 154.829 1.00 26.23 C ATOM 113 C PHE A 16 2.413 19.439 155.437 1.00 27.71 C ATOM 114 O PHE A 16 1.973 20.462 155.964 1.00 26.74 O ATOM 115 CB PHE A 16 3.747 19.634 153.316 1.00 20.47 C ATOM 116 CG PHE A 16 3.246 20.994 152.916 1.00 20.36 C ATOM 117 CD1 PHE A 16 4.105 22.068 152.837 1.00 19.81 C ATOM 118 CD2 PHE A 16 1.916 21.180 152.618 1.00 18.98 C ATOM 119 CE1 PHE A 16 3.640 23.309 152.470 1.00 22.72 C ATOM 120 CE2 PHE A 16 1.439 22.405 152.239 1.00 25.71 C ATOM 121 CZ PHE A 16 2.305 23.480 152.176 1.00 19.78 C ATOM 122 H PHE A 16 4.811 17.561 154.348 1.00 0.00 H ATOM 123 N SER A 17 1.704 18.313 155.394 1.00 25.54 N ATOM 124 CA SER A 17 0.314 18.338 155.835 1.00 26.99 C ATOM 125 C SER A 17 0.165 18.475 157.347 1.00 30.03 C ATOM 126 O SER A 17 -0.939 18.757 157.820 1.00 31.24 O ATOM 127 CB SER A 17 -0.424 17.087 155.358 1.00 27.33 C ATOM 128 OG SER A 17 -0.227 16.020 156.261 1.00 33.79 O ATOM 129 HG SER A 17 0.740 15.818 156.325 1.00 0.00 H ATOM 130 H SER A 17 2.134 17.430 155.052 1.00 0.00 H ATOM 131 N LEU A 18 1.238 18.307 158.112 1.00 33.65 N ATOM 132 CA LEU A 18 1.147 18.511 159.554 1.00 27.30 C ATOM 133 C LEU A 18 1.323 19.973 159.935 1.00 34.70 C ATOM 134 O LEU A 18 0.775 20.411 160.955 1.00 24.48 O ATOM 135 CB LEU A 18 2.185 17.654 160.270 1.00 31.54 C ATOM 136 CG LEU A 18 1.874 16.159 160.340 1.00 42.48 C ATOM 137 CD1 LEU A 18 2.964 15.450 161.118 1.00 39.20 C ATOM 138 CD2 LEU A 18 0.496 15.900 160.961 1.00 40.34 C ATOM 139 H LEU A 18 2.144 18.030 157.683 1.00 0.00 H ATOM 140 N PHE A 19 2.088 20.732 159.148 1.00 28.00 N ATOM 141 CA PHE A 19 2.161 22.173 159.353 1.00 19.96 C ATOM 142 C PHE A 19 0.919 22.874 158.813 1.00 24.35 C ATOM 143 O PHE A 19 0.436 23.840 159.411 1.00 26.82 O ATOM 144 CB PHE A 19 3.415 22.733 158.695 1.00 25.68 C ATOM 145 CG PHE A 19 4.687 22.250 159.318 1.00 22.02 C ATOM 146 CD1 PHE A 19 5.281 21.085 158.891 1.00 23.74 C ATOM 147 CD2 PHE A 19 5.280 22.967 160.339 1.00 31.09 C ATOM 148 CE1 PHE A 19 6.462 20.637 159.468 1.00 34.56 C ATOM 149 CE2 PHE A 19 6.447 22.530 160.921 1.00 29.88 C ATOM 150 CZ PHE A 19 7.042 21.362 160.484 1.00 35.10 C ATOM 151 H PHE A 19 2.637 20.292 158.382 1.00 0.00 H ATOM 152 N ASP A 20 0.390 22.394 157.687 1.00 26.82 N ATOM 153 CA ASP A 20 -0.777 22.991 157.039 1.00 26.50 C ATOM 154 C ASP A 20 -2.026 22.428 157.714 1.00 32.99 C ATOM 155 O ASP A 20 -2.654 21.476 157.245 1.00 29.10 O ATOM 156 CB ASP A 20 -0.748 22.702 155.544 1.00 29.82 C ATOM 157 CG ASP A 20 -1.848 23.408 154.785 1.00 34.33 C ATOM 158 OD1 ASP A 20 -2.332 24.458 155.268 1.00 36.28 O ATOM 159 OD2 ASP A 20 -2.217 22.901 153.699 1.00 30.93 O ATOM 160 H ASP A 20 0.827 21.558 157.250 1.00 0.00 H ATOM 161 N LYS A 21 -2.396 23.050 158.839 1.00 31.89 N ATOM 162 CA LYS A 21 -3.456 22.501 159.679 1.00 33.72 C ATOM 163 C LYS A 21 -4.794 22.498 158.953 1.00 36.61 C ATOM 164 O LYS A 21 -5.525 21.498 158.979 1.00 38.34 O ATOM 165 CB LYS A 21 -3.557 23.288 160.985 1.00 32.82 C ATOM 166 CG LYS A 21 -2.317 23.217 161.865 1.00 30.77 C ATOM 167 CD LYS A 21 -2.032 21.799 162.306 1.00 26.57 C ATOM 168 CE LYS A 21 -1.061 21.764 163.465 1.00 27.86 C ATOM 169 NZ LYS A 21 -0.698 20.371 163.842 1.00 27.89 N ATOM 170 HZ1 LYS A 21 -1.556 19.853 164.119 1.00 0.00 H ATOM 171 HZ2 LYS A 21 -0.254 19.898 163.029 1.00 0.00 H ATOM 172 HZ3 LYS A 21 -0.031 20.392 164.640 1.00 0.00 H ATOM 173 H LYS A 21 -1.924 23.934 159.118 1.00 0.00 H ATOM 174 N ASP A 22 -5.141 23.606 158.303 1.00 34.94 N ATOM 175 CA ASP A 22 -6.409 23.696 157.594 1.00 32.55 C ATOM 176 C ASP A 22 -6.321 23.177 156.165 1.00 40.86 C ATOM 177 O ASP A 22 -7.228 23.445 155.369 1.00 39.42 O ATOM 178 CB ASP A 22 -6.936 25.137 157.611 1.00 36.88 C ATOM 179 CG ASP A 22 -6.037 26.112 156.878 1.00 30.02 C ATOM 180 OD1 ASP A 22 -5.102 25.682 156.175 1.00 34.95 O ATOM 181 OD2 ASP A 22 -6.264 27.332 157.001 1.00 37.69 O ATOM 182 H ASP A 22 -4.495 24.421 158.302 1.00 0.00 H ATOM 183 N GLY A 23 -5.252 22.449 155.826 1.00 33.93 N ATOM 184 CA GLY A 23 -5.086 21.834 154.521 1.00 35.30 C ATOM 185 C GLY A 23 -5.374 22.719 153.324 1.00 36.09 C ATOM 186 O GLY A 23 -5.803 22.221 152.280 1.00 41.14 O ATOM 187 H GLY A 23 -4.501 22.316 156.533 1.00 0.00 H ATOM 188 N ASP A 24 -5.152 24.026 153.451 1.00 31.67 N ATOM 189 CA ASP A 24 -5.451 24.956 152.368 1.00 36.11 C ATOM 190 C ASP A 24 -4.304 25.112 151.376 1.00 40.35 C ATOM 191 O ASP A 24 -4.448 25.859 150.400 1.00 36.02 O ATOM 192 CB ASP A 24 -5.854 26.328 152.937 1.00 34.15 C ATOM 193 CG ASP A 24 -4.662 27.180 153.360 1.00 42.00 C ATOM 194 OD1 ASP A 24 -3.574 26.630 153.646 1.00 37.74 O ATOM 195 OD2 ASP A 24 -4.824 28.418 153.423 1.00 41.19 O ATOM 196 H ASP A 24 -4.757 24.391 154.341 1.00 0.00 H ATOM 197 N GLY A 25 -3.172 24.444 151.604 1.00 36.67 N ATOM 198 CA GLY A 25 -2.066 24.463 150.677 1.00 31.53 C ATOM 199 C GLY A 25 -0.942 25.411 151.030 1.00 35.94 C ATOM 200 O GLY A 25 0.093 25.389 150.357 1.00 31.62 O ATOM 201 H GLY A 25 -3.083 23.890 152.480 1.00 0.00 H ATOM 202 N THR A 26 -1.116 26.248 152.049 1.00 31.71 N ATOM 203 CA THR A 26 -0.082 27.177 152.482 1.00 30.61 C ATOM 204 C THR A 26 0.066 27.093 153.994 1.00 27.70 C ATOM 205 O THR A 26 -0.933 26.998 154.716 1.00 38.51 O ATOM 206 CB THR A 26 -0.417 28.632 152.080 1.00 31.86 C ATOM 207 OG1 THR A 26 -1.648 29.026 152.696 1.00 43.40 O ATOM 208 CG2 THR A 26 -0.548 28.768 150.572 1.00 38.76 C ATOM 209 HG1 THR A 26 -1.557 28.968 153.680 1.00 0.00 H ATOM 210 H THR A 26 -2.024 26.238 152.555 1.00 0.00 H ATOM 211 N ILE A 27 1.303 27.129 154.472 1.00 23.27 N ATOM 212 CA ILE A 27 1.570 27.263 155.899 1.00 22.71 C ATOM 213 C ILE A 27 1.705 28.739 156.245 1.00 15.08 C ATOM 214 O ILE A 27 2.492 29.462 155.620 1.00 22.63 O ATOM 215 CB ILE A 27 2.835 26.498 156.294 1.00 18.43 C ATOM 216 CG1 ILE A 27 2.743 25.050 155.830 1.00 19.85 C ATOM 217 CG2 ILE A 27 3.039 26.576 157.796 1.00 23.38 C ATOM 218 CD1 ILE A 27 4.097 24.388 155.699 1.00 22.04 C ATOM 219 H ILE A 27 2.103 27.060 153.811 1.00 0.00 H ATOM 220 N THR A 28 0.951 29.184 157.253 1.00 20.94 N ATOM 221 CA THR A 28 0.971 30.557 157.738 1.00 22.75 C ATOM 222 C THR A 28 1.797 30.659 159.013 1.00 19.92 C ATOM 223 O THR A 28 2.088 29.661 159.669 1.00 22.42 O ATOM 224 CB THR A 28 -0.446 31.048 158.042 1.00 24.71 C ATOM 225 OG1 THR A 28 -0.987 30.225 159.077 1.00 27.01 O ATOM 226 CG2 THR A 28 -1.315 30.945 156.827 1.00 27.16 C ATOM 227 HG1 THR A 28 -1.906 30.526 159.290 1.00 0.00 H ATOM 228 H THR A 28 0.311 28.510 157.720 1.00 0.00 H ATOM 229 N THR A 29 2.110 31.894 159.407 1.00 16.81 N ATOM 230 CA THR A 29 2.774 32.090 160.689 1.00 17.71 C ATOM 231 C THR A 29 1.927 31.530 161.820 1.00 14.80 C ATOM 232 O THR A 29 2.460 30.992 162.790 1.00 18.10 O ATOM 233 CB THR A 29 3.067 33.560 160.956 1.00 24.24 C ATOM 234 OG1 THR A 29 1.837 34.275 160.913 1.00 19.83 O ATOM 235 CG2 THR A 29 4.012 34.125 159.923 1.00 19.05 C ATOM 236 HG1 THR A 29 1.425 34.167 160.019 1.00 0.00 H ATOM 237 H THR A 29 1.882 32.710 158.804 1.00 0.00 H ATOM 238 N LYS A 30 0.600 31.638 161.716 1.00 17.42 N ATOM 239 CA LYS A 30 -0.235 31.090 162.781 1.00 15.66 C ATOM 240 C LYS A 30 -0.108 29.569 162.844 1.00 20.10 C ATOM 241 O LYS A 30 0.006 28.996 163.935 1.00 23.08 O ATOM 242 CB LYS A 30 -1.691 31.522 162.594 1.00 14.45 C ATOM 243 CG LYS A 30 -1.970 33.013 162.788 1.00 16.81 C ATOM 244 CD LYS A 30 -3.470 33.272 162.713 1.00 20.47 C ATOM 245 CE LYS A 30 -3.957 33.355 161.270 1.00 22.64 C ATOM 246 NZ LYS A 30 -3.401 34.571 160.607 1.00 18.34 N ATOM 247 HZ1 LYS A 30 -3.714 35.419 161.122 1.00 0.00 H ATOM 248 HZ2 LYS A 30 -2.362 34.524 160.614 1.00 0.00 H ATOM 249 HZ3 LYS A 30 -3.741 34.615 159.625 1.00 0.00 H ATOM 250 H LYS A 30 0.169 32.104 160.892 1.00 0.00 H ATOM 251 N GLU A 31 -0.113 28.898 161.690 1.00 16.87 N ATOM 252 CA GLU A 31 0.029 27.448 161.690 1.00 17.48 C ATOM 253 C GLU A 31 1.418 27.050 162.166 1.00 17.60 C ATOM 254 O GLU A 31 1.573 26.097 162.943 1.00 17.04 O ATOM 255 CB GLU A 31 -0.256 26.891 160.290 1.00 19.46 C ATOM 256 CG GLU A 31 -1.748 26.885 159.945 1.00 26.12 C ATOM 257 CD GLU A 31 -2.050 26.571 158.481 1.00 31.44 C ATOM 258 OE1 GLU A 31 -1.318 27.050 157.590 1.00 23.76 O ATOM 259 OE2 GLU A 31 -3.037 25.848 158.228 1.00 35.44 O ATOM 260 H GLU A 31 -0.218 29.410 160.791 1.00 0.00 H ATOM 261 N LEU A 32 2.432 27.798 161.734 1.00 15.08 N ATOM 262 CA LEU A 32 3.805 27.541 162.182 1.00 17.69 C ATOM 263 C LEU A 32 3.925 27.728 163.689 1.00 16.43 C ATOM 264 O LEU A 32 4.582 26.940 164.385 1.00 14.95 O ATOM 265 CB LEU A 32 4.778 28.470 161.451 1.00 26.25 C ATOM 266 CG LEU A 32 6.294 28.290 161.583 1.00 31.98 C ATOM 267 CD1 LEU A 32 6.746 26.817 161.691 1.00 22.52 C ATOM 268 CD2 LEU A 32 7.022 29.008 160.454 1.00 36.31 C ATOM 269 H LEU A 32 2.247 28.576 161.069 1.00 0.00 H ATOM 270 N GLY A 33 3.259 28.749 164.223 1.00 17.81 N ATOM 271 CA GLY A 33 3.328 28.983 165.647 1.00 19.54 C ATOM 272 C GLY A 33 2.629 27.892 166.419 1.00 10.04 C ATOM 273 O GLY A 33 3.068 27.523 167.505 1.00 14.12 O ATOM 274 H GLY A 33 2.691 29.376 163.618 1.00 0.00 H ATOM 275 N THR A 34 1.509 27.394 165.886 1.00 16.29 N ATOM 276 CA THR A 34 0.767 26.321 166.537 1.00 13.42 C ATOM 277 C THR A 34 1.598 25.032 166.611 1.00 16.76 C ATOM 278 O THR A 34 1.679 24.400 167.668 1.00 18.97 O ATOM 279 CB THR A 34 -0.554 26.079 165.793 1.00 14.95 C ATOM 280 OG1 THR A 34 -1.423 27.217 165.986 1.00 19.17 O ATOM 281 CG2 THR A 34 -1.250 24.833 166.281 1.00 21.62 C ATOM 282 HG1 THR A 34 -0.984 28.030 165.630 1.00 0.00 H ATOM 283 H THR A 34 1.159 27.781 164.986 1.00 0.00 H ATOM 284 N VAL A 35 2.237 24.645 165.499 1.00 16.44 N ATOM 285 CA VAL A 35 3.108 23.464 165.498 1.00 17.15 C ATOM 286 C VAL A 35 4.237 23.622 166.498 1.00 15.97 C ATOM 287 O VAL A 35 4.468 22.739 167.341 1.00 17.84 O ATOM 288 CB VAL A 35 3.658 23.191 164.087 1.00 14.17 C ATOM 289 CG1 VAL A 35 4.589 21.927 164.114 1.00 24.19 C ATOM 290 CG2 VAL A 35 2.545 23.028 163.085 1.00 22.13 C ATOM 291 H VAL A 35 2.114 25.190 164.622 1.00 0.00 H HETATM 292 N MSE A 36 4.959 24.746 166.424 1.00 16.68 N HETATM 293 CA MSE A 36 6.091 25.002 167.319 1.00 18.23 C HETATM 294 C MSE A 36 5.714 24.954 168.789 1.00 18.72 C HETATM 295 O MSE A 36 6.437 24.435 169.603 1.00 18.21 O HETATM 296 CB MSE A 36 6.738 26.354 167.015 1.00 21.12 C HETATM 297 CG MSE A 36 7.377 26.467 165.665 1.00 19.26 C HETATM 298 SE MSE A 36 8.892 25.239 165.456 1.00 47.41 S HETATM 299 CE MSE A 36 8.054 23.962 164.262 1.00 32.83 C HETATM 300 H MSE A 36 4.709 25.460 165.710 1.00 0.00 H ATOM 301 N ARG A 37 4.555 25.496 169.141 1.00 17.28 N ATOM 302 CA ARG A 37 4.154 25.368 170.534 1.00 14.70 C ATOM 303 C ARG A 37 3.841 23.915 170.889 1.00 17.89 C ATOM 304 O ARG A 37 4.158 23.466 171.998 1.00 19.79 O ATOM 305 CB ARG A 37 2.985 26.314 170.833 1.00 17.62 C ATOM 306 CG ARG A 37 3.477 27.754 170.870 1.00 16.12 C ATOM 307 CD ARG A 37 2.365 28.682 171.373 1.00 14.11 C ATOM 308 NE ARG A 37 1.284 28.763 170.417 1.00 14.18 N ATOM 309 CZ ARG A 37 1.258 29.587 169.369 1.00 13.48 C ATOM 310 NH1 ARG A 37 2.291 30.378 169.122 1.00 12.84 N ATOM 311 NH2 ARG A 37 0.186 29.614 168.573 1.00 13.21 N ATOM 312 HE ARG A 37 0.468 28.134 170.557 1.00 0.00 H ATOM 313 HH12 ARG A 37 2.270 31.020 168.304 1.00 0.00 H ATOM 314 HH11 ARG A 37 3.123 30.357 169.746 1.00 0.00 H ATOM 315 HH22 ARG A 37 0.162 30.255 167.755 1.00 0.00 H ATOM 316 HH21 ARG A 37 -0.625 28.994 168.771 1.00 0.00 H ATOM 317 H ARG A 37 3.957 25.992 168.449 1.00 0.00 H ATOM 318 N SER A 38 3.249 23.151 169.959 1.00 16.03 N ATOM 319 CA SER A 38 2.942 21.762 170.268 1.00 16.23 C ATOM 320 C SER A 38 4.206 20.930 170.401 1.00 19.26 C ATOM 321 O SER A 38 4.137 19.835 170.966 1.00 19.49 O ATOM 322 CB SER A 38 2.021 21.151 169.213 1.00 13.65 C ATOM 323 OG SER A 38 2.625 20.925 167.956 1.00 19.83 O ATOM 324 HG SER A 38 2.950 21.785 167.588 1.00 0.00 H ATOM 325 H SER A 38 3.012 23.547 169.027 1.00 0.00 H ATOM 326 N LEU A 39 5.342 21.427 169.902 1.00 14.47 N ATOM 327 CA LEU A 39 6.651 20.806 170.087 1.00 13.59 C ATOM 328 C LEU A 39 7.479 21.488 171.176 1.00 18.56 C ATOM 329 O LEU A 39 8.703 21.345 171.193 1.00 29.28 O ATOM 330 CB LEU A 39 7.418 20.803 168.770 1.00 19.60 C ATOM 331 CG LEU A 39 6.694 20.203 167.575 1.00 28.42 C ATOM 332 CD1 LEU A 39 7.406 20.574 166.306 1.00 34.49 C ATOM 333 CD2 LEU A 39 6.614 18.697 167.714 1.00 24.27 C ATOM 334 H LEU A 39 5.291 22.307 169.350 1.00 0.00 H ATOM 335 N GLY A 40 6.839 22.227 172.080 1.00 19.37 N ATOM 336 CA GLY A 40 7.512 22.774 173.236 1.00 24.43 C ATOM 337 C GLY A 40 8.304 24.043 173.006 1.00 17.12 C ATOM 338 O GLY A 40 9.043 24.466 173.907 1.00 24.46 O ATOM 339 H GLY A 40 5.825 22.416 171.950 1.00 0.00 H ATOM 340 N GLN A 41 8.196 24.662 171.836 1.00 18.57 N ATOM 341 CA GLN A 41 8.912 25.894 171.536 1.00 15.67 C ATOM 342 C GLN A 41 7.973 27.086 171.720 1.00 18.90 C ATOM 343 O GLN A 41 6.768 26.919 171.886 1.00 17.52 O ATOM 344 CB GLN A 41 9.474 25.835 170.123 1.00 21.10 C ATOM 345 CG GLN A 41 10.133 24.481 169.798 1.00 18.57 C ATOM 346 CD GLN A 41 11.256 24.107 170.769 1.00 26.03 C ATOM 347 OE1 GLN A 41 12.212 24.861 170.937 1.00 29.64 O ATOM 348 NE2 GLN A 41 11.150 22.935 171.400 1.00 16.65 N ATOM 349 HE22 GLN A 41 10.325 22.326 171.230 1.00 0.00 H ATOM 350 HE21 GLN A 41 11.893 22.631 172.061 1.00 0.00 H ATOM 351 H GLN A 41 7.577 24.252 171.107 1.00 0.00 H ATOM 352 N ASN A 42 8.541 28.298 171.720 1.00 19.40 N ATOM 353 CA ASN A 42 7.731 29.486 171.956 1.00 17.76 C ATOM 354 C ASN A 42 8.232 30.662 171.124 1.00 16.34 C ATOM 355 O ASN A 42 8.660 31.673 171.689 1.00 16.40 O ATOM 356 CB ASN A 42 7.756 29.861 173.439 1.00 21.11 C ATOM 357 CG ASN A 42 6.726 30.909 173.788 1.00 24.08 C ATOM 358 OD1 ASN A 42 5.716 31.050 173.100 1.00 28.99 O ATOM 359 ND2 ASN A 42 6.969 31.643 174.865 1.00 36.17 N ATOM 360 HD22 ASN A 42 7.838 31.487 175.415 1.00 0.00 H ATOM 361 HD21 ASN A 42 6.291 32.375 175.159 1.00 0.00 H ATOM 362 H ASN A 42 9.563 28.392 171.551 1.00 0.00 H ATOM 363 N PRO A 43 8.179 30.570 169.796 1.00 19.07 N ATOM 364 CA PRO A 43 8.627 31.684 168.955 1.00 16.44 C ATOM 365 C PRO A 43 7.715 32.896 169.090 1.00 21.35 C ATOM 366 O PRO A 43 6.512 32.784 169.342 1.00 16.56 O ATOM 367 CB PRO A 43 8.559 31.104 167.540 1.00 18.70 C ATOM 368 CG PRO A 43 7.411 30.096 167.624 1.00 23.50 C ATOM 369 CD PRO A 43 7.515 29.496 169.019 1.00 18.55 C ATOM 370 N THR A 44 8.312 34.073 168.933 1.00 23.52 N ATOM 371 CA THR A 44 7.553 35.310 168.836 1.00 20.68 C ATOM 372 C THR A 44 6.961 35.471 167.441 1.00 18.92 C ATOM 373 O THR A 44 7.320 34.771 166.491 1.00 19.15 O ATOM 374 CB THR A 44 8.428 36.522 169.146 1.00 25.39 C ATOM 375 OG1 THR A 44 9.334 36.736 168.053 1.00 18.71 O ATOM 376 CG2 THR A 44 9.199 36.313 170.441 1.00 27.88 C ATOM 377 HG1 THR A 44 9.905 37.521 168.248 1.00 0.00 H ATOM 378 H THR A 44 9.350 34.111 168.878 1.00 0.00 H ATOM 379 N GLU A 45 6.012 36.399 167.319 1.00 20.15 N ATOM 380 CA GLU A 45 5.370 36.624 166.002 1.00 13.19 C ATOM 381 C GLU A 45 6.443 37.018 164.983 1.00 26.49 C ATOM 382 O GLU A 45 6.344 36.571 163.834 1.00 29.90 O ATOM 383 CB GLU A 45 4.289 37.701 166.100 1.00 25.00 C ATOM 384 CG GLU A 45 4.842 39.108 166.189 1.00 25.00 C ATOM 385 CD GLU A 45 5.502 39.430 167.516 1.00 30.90 C ATOM 386 OE1 GLU A 45 4.776 39.580 168.514 1.00 43.85 O ATOM 387 OE2 GLU A 45 6.738 39.523 167.547 1.00 59.16 O ATOM 388 H GLU A 45 5.723 36.963 168.144 1.00 0.00 H ATOM 389 N ALA A 46 7.449 37.781 165.414 1.00 20.29 N ATOM 390 CA ALA A 46 8.455 38.254 164.472 1.00 27.52 C ATOM 391 C ALA A 46 9.412 37.142 164.100 1.00 19.90 C ATOM 392 O ALA A 46 9.855 37.073 162.952 1.00 25.35 O ATOM 393 CB ALA A 46 9.224 39.447 165.044 1.00 20.89 C ATOM 394 H ALA A 46 7.515 38.037 166.420 1.00 0.00 H ATOM 395 N GLU A 47 9.715 36.251 165.043 1.00 18.56 N ATOM 396 CA GLU A 47 10.516 35.076 164.701 1.00 28.81 C ATOM 397 C GLU A 47 9.781 34.192 163.704 1.00 26.37 C ATOM 398 O GLU A 47 10.392 33.650 162.771 1.00 23.61 O ATOM 399 CB GLU A 47 10.874 34.299 165.965 1.00 21.27 C ATOM 400 CG GLU A 47 11.819 35.033 166.880 1.00 32.19 C ATOM 401 CD GLU A 47 11.953 34.394 168.244 1.00 27.38 C ATOM 402 OE1 GLU A 47 11.164 33.481 168.575 1.00 23.56 O ATOM 403 OE2 GLU A 47 12.859 34.815 168.991 1.00 39.27 O ATOM 404 H GLU A 47 9.383 36.390 166.019 1.00 0.00 H ATOM 405 N LEU A 48 8.464 34.033 163.873 1.00 20.53 N ATOM 406 CA LEU A 48 7.702 33.261 162.902 1.00 28.04 C ATOM 407 C LEU A 48 7.774 33.898 161.524 1.00 20.03 C ATOM 408 O LEU A 48 7.899 33.197 160.512 1.00 26.40 O ATOM 409 CB LEU A 48 6.246 33.120 163.346 1.00 19.51 C ATOM 410 CG LEU A 48 6.030 32.275 164.588 1.00 14.96 C ATOM 411 CD1 LEU A 48 4.611 32.472 165.132 1.00 18.08 C ATOM 412 CD2 LEU A 48 6.256 30.798 164.285 1.00 11.72 C ATOM 413 H LEU A 48 7.987 34.458 164.693 1.00 0.00 H ATOM 414 N GLN A 49 7.711 35.222 161.461 1.00 20.95 N ATOM 415 CA GLN A 49 7.797 35.875 160.165 1.00 19.77 C ATOM 416 C GLN A 49 9.180 35.691 159.565 1.00 22.17 C ATOM 417 O GLN A 49 9.308 35.432 158.364 1.00 30.16 O ATOM 418 CB GLN A 49 7.454 37.359 160.298 1.00 21.10 C ATOM 419 CG GLN A 49 5.963 37.630 160.500 1.00 21.58 C ATOM 420 CD GLN A 49 5.666 39.103 160.788 1.00 15.76 C ATOM 421 OE1 GLN A 49 6.299 39.719 161.633 1.00 22.10 O ATOM 422 NE2 GLN A 49 4.708 39.656 160.078 1.00 18.54 N ATOM 423 HE22 GLN A 49 4.195 39.094 159.369 1.00 0.00 H ATOM 424 HE21 GLN A 49 4.463 40.656 160.225 1.00 0.00 H ATOM 425 H GLN A 49 7.601 35.786 162.328 1.00 0.00 H ATOM 426 N ASP A 50 10.217 35.795 160.399 1.00 20.32 N ATOM 427 CA ASP A 50 11.590 35.592 159.937 1.00 25.74 C ATOM 428 C ASP A 50 11.768 34.200 159.344 1.00 26.56 C ATOM 429 O ASP A 50 12.312 34.040 158.245 1.00 27.50 O ATOM 430 CB ASP A 50 12.568 35.806 161.089 1.00 27.05 C ATOM 431 CG ASP A 50 12.799 37.271 161.395 1.00 30.57 C ATOM 432 OD1 ASP A 50 12.254 38.122 160.666 1.00 38.18 O ATOM 433 OD2 ASP A 50 13.534 37.567 162.358 1.00 39.11 O ATOM 434 H ASP A 50 10.045 36.025 161.399 1.00 0.00 H HETATM 435 N MSE A 51 11.307 33.183 160.051 1.00 22.65 N HETATM 436 CA MSE A 51 11.398 31.823 159.536 1.00 23.70 C HETATM 437 C MSE A 51 10.731 31.674 158.177 1.00 26.46 C HETATM 438 O MSE A 51 11.312 31.089 157.271 1.00 32.61 O HETATM 439 CB MSE A 51 10.777 30.844 160.515 1.00 26.62 C HETATM 440 CG MSE A 51 11.541 30.738 161.790 1.00 34.56 C HETATM 441 SE MSE A 51 10.492 29.764 163.100 1.00 49.77 S HETATM 442 CE MSE A 51 11.206 30.642 164.684 1.00 36.57 C HETATM 443 H MSE A 51 10.876 33.355 160.982 1.00 0.00 H ATOM 444 N ILE A 52 9.521 32.219 158.025 1.00 25.03 N ATOM 445 CA ILE A 52 8.808 32.067 156.760 1.00 24.58 C ATOM 446 C ILE A 52 9.495 32.870 155.667 1.00 28.32 C ATOM 447 O ILE A 52 9.607 32.416 154.521 1.00 28.35 O ATOM 448 CB ILE A 52 7.327 32.462 156.917 1.00 28.20 C ATOM 449 CG1 ILE A 52 6.574 31.372 157.679 1.00 22.87 C ATOM 450 CG2 ILE A 52 6.669 32.710 155.565 1.00 21.51 C ATOM 451 CD1 ILE A 52 5.055 31.429 157.516 1.00 26.06 C ATOM 452 H ILE A 52 9.087 32.751 158.807 1.00 0.00 H ATOM 453 N ASN A 53 9.983 34.063 156.003 1.00 31.96 N ATOM 454 CA ASN A 53 10.571 34.916 154.985 1.00 31.39 C ATOM 455 C ASN A 53 11.853 34.331 154.419 1.00 33.37 C ATOM 456 O ASN A 53 12.212 34.648 153.282 1.00 35.44 O ATOM 457 CB ASN A 53 10.845 36.301 155.546 1.00 31.05 C ATOM 458 CG ASN A 53 11.179 37.289 154.466 1.00 37.11 C ATOM 459 OD1 ASN A 53 12.304 37.775 154.380 1.00 44.03 O ATOM 460 ND2 ASN A 53 10.203 37.571 153.606 1.00 36.81 N ATOM 461 HD22 ASN A 53 9.266 37.134 153.721 1.00 0.00 H ATOM 462 HD21 ASN A 53 10.377 38.228 152.819 1.00 0.00 H ATOM 463 H ASN A 53 9.943 34.383 156.992 1.00 0.00 H ATOM 464 N GLU A 54 12.535 33.476 155.180 1.00 28.57 N ATOM 465 CA GLU A 54 13.787 32.884 154.731 1.00 40.89 C ATOM 466 C GLU A 54 13.601 31.952 153.541 1.00 40.93 C ATOM 467 O GLU A 54 14.593 31.625 152.881 1.00 45.76 O ATOM 468 CB GLU A 54 14.456 32.135 155.888 1.00 32.23 C ATOM 469 CG GLU A 54 15.975 32.088 155.806 1.00 48.90 C ATOM 470 CD GLU A 54 16.496 30.728 155.381 1.00 55.98 C ATOM 471 OE1 GLU A 54 15.935 29.707 155.841 1.00 57.65 O ATOM 472 OE2 GLU A 54 17.463 30.679 154.588 1.00 57.09 O ATOM 473 H GLU A 54 12.164 33.225 156.118 1.00 0.00 H ATOM 474 N VAL A 55 12.366 31.539 153.241 1.00 30.73 N ATOM 475 CA VAL A 55 12.090 30.636 152.128 1.00 37.18 C ATOM 476 C VAL A 55 10.860 31.093 151.361 1.00 32.29 C ATOM 477 O VAL A 55 10.382 30.387 150.468 1.00 31.38 O ATOM 478 CB VAL A 55 11.901 29.186 152.611 1.00 30.40 C ATOM 479 CG1 VAL A 55 13.244 28.514 152.826 1.00 38.11 C ATOM 480 CG2 VAL A 55 11.073 29.157 153.882 1.00 32.94 C ATOM 481 H VAL A 55 11.571 31.874 153.823 1.00 0.00 H ATOM 482 N ASP A 56 10.325 32.261 151.706 1.00 29.15 N ATOM 483 CA ASP A 56 9.156 32.805 151.015 1.00 28.52 C ATOM 484 C ASP A 56 9.623 33.382 149.687 1.00 36.35 C ATOM 485 O ASP A 56 10.035 34.538 149.596 1.00 47.79 O ATOM 486 CB ASP A 56 8.462 33.859 151.872 1.00 33.26 C ATOM 487 CG ASP A 56 7.128 34.342 151.283 1.00 32.98 C ATOM 488 OD1 ASP A 56 6.532 33.667 150.427 1.00 27.28 O ATOM 489 OD2 ASP A 56 6.663 35.422 151.697 1.00 30.20 O ATOM 490 H ASP A 56 10.749 32.801 152.487 1.00 0.00 H ATOM 491 N ALA A 57 9.525 32.570 148.635 1.00 36.36 N ATOM 492 CA ALA A 57 10.066 32.966 147.340 1.00 42.82 C ATOM 493 C ALA A 57 9.251 34.091 146.718 1.00 34.20 C ATOM 494 O ALA A 57 9.812 35.103 146.282 1.00 45.23 O ATOM 495 CB ALA A 57 10.127 31.755 146.407 1.00 41.94 C ATOM 496 H ALA A 57 9.059 31.646 148.738 1.00 0.00 H ATOM 497 N ASP A 58 7.928 33.936 146.668 1.00 41.39 N ATOM 498 CA ASP A 58 7.050 34.873 145.977 1.00 38.95 C ATOM 499 C ASP A 58 6.531 35.990 146.879 1.00 38.00 C ATOM 500 O ASP A 58 5.642 36.740 146.461 1.00 39.08 O ATOM 501 CB ASP A 58 5.870 34.124 145.348 1.00 38.61 C ATOM 502 CG ASP A 58 4.979 33.451 146.378 1.00 39.74 C ATOM 503 OD1 ASP A 58 5.328 33.455 147.577 1.00 38.05 O ATOM 504 OD2 ASP A 58 3.915 32.924 145.984 1.00 41.15 O ATOM 505 H ASP A 58 7.504 33.113 147.141 1.00 0.00 H ATOM 506 N GLY A 59 7.032 36.087 148.109 1.00 42.39 N ATOM 507 CA GLY A 59 6.706 37.204 148.985 1.00 38.83 C ATOM 508 C GLY A 59 5.244 37.360 149.348 1.00 38.83 C ATOM 509 O GLY A 59 4.798 38.483 149.613 1.00 43.55 O ATOM 510 H GLY A 59 7.674 35.345 148.454 1.00 0.00 H ATOM 511 N ASN A 60 4.476 36.278 149.374 1.00 29.96 N ATOM 512 CA ASN A 60 3.088 36.384 149.796 1.00 31.71 C ATOM 513 C ASN A 60 2.906 36.081 151.279 1.00 27.00 C ATOM 514 O ASN A 60 1.766 35.996 151.747 1.00 36.00 O ATOM 515 CB ASN A 60 2.190 35.485 148.936 1.00 37.53 C ATOM 516 CG ASN A 60 2.402 34.007 149.194 1.00 33.84 C ATOM 517 OD1 ASN A 60 3.395 33.600 149.778 1.00 28.83 O ATOM 518 ND2 ASN A 60 1.461 33.197 148.740 1.00 36.87 N ATOM 519 HD22 ASN A 60 0.632 33.587 148.248 1.00 0.00 H ATOM 520 HD21 ASN A 60 1.550 32.170 148.875 1.00 0.00 H ATOM 521 H ASN A 60 4.866 35.356 149.093 1.00 0.00 H ATOM 522 N GLY A 61 4.002 35.926 152.021 1.00 28.84 N ATOM 523 CA GLY A 61 3.967 35.745 153.460 1.00 28.52 C ATOM 524 C GLY A 61 3.598 34.360 153.961 1.00 26.86 C ATOM 525 O GLY A 61 3.517 34.170 155.180 1.00 21.00 O ATOM 526 H GLY A 61 4.927 35.935 151.546 1.00 0.00 H ATOM 527 N THR A 62 3.348 33.399 153.077 1.00 28.78 N ATOM 528 CA THR A 62 3.035 32.029 153.466 1.00 21.49 C ATOM 529 C THR A 62 3.942 31.080 152.698 1.00 26.01 C ATOM 530 O THR A 62 4.651 31.480 151.776 1.00 26.72 O ATOM 531 CB THR A 62 1.570 31.673 153.200 1.00 27.47 C ATOM 532 OG1 THR A 62 1.324 31.675 151.787 1.00 28.92 O ATOM 533 CG2 THR A 62 0.634 32.650 153.901 1.00 27.43 C ATOM 534 HG1 THR A 62 0.376 31.445 151.618 1.00 0.00 H ATOM 535 H THR A 62 3.377 33.635 152.064 1.00 0.00 H ATOM 536 N ILE A 63 3.908 29.805 153.075 1.00 20.89 N ATOM 537 CA ILE A 63 4.792 28.795 152.503 1.00 24.29 C ATOM 538 C ILE A 63 3.957 27.741 151.793 1.00 15.08 C ATOM 539 O ILE A 63 3.149 27.046 152.424 1.00 20.05 O ATOM 540 CB ILE A 63 5.676 28.146 153.574 1.00 18.93 C ATOM 541 CG1 ILE A 63 6.667 29.161 154.115 1.00 19.23 C ATOM 542 CG2 ILE A 63 6.401 26.967 152.985 1.00 22.99 C ATOM 543 CD1 ILE A 63 7.417 28.657 155.309 1.00 33.63 C ATOM 544 H ILE A 63 3.226 29.517 153.805 1.00 0.00 H ATOM 545 N ASP A 64 4.159 27.606 150.482 1.00 21.48 N ATOM 546 CA ASP A 64 3.514 26.534 149.737 1.00 24.83 C ATOM 547 C ASP A 64 4.442 25.314 149.653 1.00 20.23 C ATOM 548 O ASP A 64 5.571 25.326 150.145 1.00 23.98 O ATOM 549 CB ASP A 64 3.084 27.013 148.347 1.00 29.52 C ATOM 550 CG ASP A 64 4.248 27.534 147.497 1.00 31.85 C ATOM 551 OD1 ASP A 64 5.426 27.278 147.817 1.00 25.18 O ATOM 552 OD2 ASP A 64 3.972 28.220 146.488 1.00 37.05 O ATOM 553 H ASP A 64 4.784 28.273 149.986 1.00 0.00 H ATOM 554 N PHE A 65 3.950 24.239 149.035 1.00 27.18 N ATOM 555 CA PHE A 65 4.736 23.006 148.978 1.00 25.66 C ATOM 556 C PHE A 65 6.086 23.183 148.291 1.00 19.61 C ATOM 557 O PHE A 65 7.084 22.672 148.830 1.00 20.51 O ATOM 558 CB PHE A 65 3.923 21.889 148.310 1.00 23.29 C ATOM 559 CG PHE A 65 4.571 20.527 148.411 1.00 18.98 C ATOM 560 CD1 PHE A 65 4.786 19.928 149.644 1.00 23.82 C ATOM 561 CD2 PHE A 65 4.964 19.853 147.279 1.00 27.83 C ATOM 562 CE1 PHE A 65 5.391 18.667 149.734 1.00 23.83 C ATOM 563 CE2 PHE A 65 5.565 18.605 147.361 1.00 25.28 C ATOM 564 CZ PHE A 65 5.776 18.013 148.590 1.00 23.19 C ATOM 565 H PHE A 65 3.009 24.277 148.594 1.00 0.00 H ATOM 566 N PRO A 66 6.208 23.869 147.146 1.00 25.82 N ATOM 567 CA PRO A 66 7.548 24.050 146.555 1.00 27.42 C ATOM 568 C PRO A 66 8.507 24.789 147.469 1.00 22.99 C ATOM 569 O PRO A 66 9.673 24.392 147.602 1.00 26.39 O ATOM 570 CB PRO A 66 7.259 24.842 145.271 1.00 27.31 C ATOM 571 CG PRO A 66 5.844 24.587 144.972 1.00 30.82 C ATOM 572 CD PRO A 66 5.154 24.421 146.277 1.00 25.84 C ATOM 573 N GLU A 67 8.049 25.873 148.095 1.00 22.64 N ATOM 574 CA GLU A 67 8.903 26.590 149.035 1.00 21.91 C ATOM 575 C GLU A 67 9.280 25.696 150.208 1.00 18.34 C ATOM 576 O GLU A 67 10.414 25.738 150.702 1.00 24.78 O ATOM 577 CB GLU A 67 8.191 27.861 149.508 1.00 23.74 C ATOM 578 CG GLU A 67 7.964 28.897 148.400 1.00 22.55 C ATOM 579 CD GLU A 67 6.985 30.014 148.790 1.00 36.93 C ATOM 580 OE1 GLU A 67 6.142 29.801 149.683 1.00 21.32 O ATOM 581 OE2 GLU A 67 7.043 31.111 148.183 1.00 35.21 O ATOM 582 H GLU A 67 7.081 26.208 147.913 1.00 0.00 H ATOM 583 N PHE A 68 8.341 24.860 150.652 1.00 19.80 N ATOM 584 CA PHE A 68 8.638 23.908 151.717 1.00 22.90 C ATOM 585 C PHE A 68 9.742 22.935 151.305 1.00 22.42 C ATOM 586 O PHE A 68 10.646 22.640 152.092 1.00 23.05 O ATOM 587 CB PHE A 68 7.364 23.160 152.097 1.00 19.28 C ATOM 588 CG PHE A 68 7.528 22.232 153.262 1.00 26.69 C ATOM 589 CD1 PHE A 68 7.439 22.707 154.562 1.00 23.94 C ATOM 590 CD2 PHE A 68 7.701 20.873 153.059 1.00 21.14 C ATOM 591 CE1 PHE A 68 7.559 21.842 155.642 1.00 30.26 C ATOM 592 CE2 PHE A 68 7.825 19.997 154.139 1.00 26.72 C ATOM 593 CZ PHE A 68 7.756 20.485 155.430 1.00 27.66 C ATOM 594 H PHE A 68 7.388 24.887 150.235 1.00 0.00 H ATOM 595 N LEU A 69 9.690 22.437 150.072 1.00 17.97 N ATOM 596 CA LEU A 69 10.741 21.542 149.598 1.00 20.61 C ATOM 597 C LEU A 69 12.082 22.252 149.530 1.00 30.49 C ATOM 598 O LEU A 69 13.109 21.671 149.887 1.00 30.07 O ATOM 599 CB LEU A 69 10.382 20.992 148.224 1.00 27.00 C ATOM 600 CG LEU A 69 9.224 20.003 148.146 1.00 29.91 C ATOM 601 CD1 LEU A 69 8.949 19.680 146.694 1.00 32.91 C ATOM 602 CD2 LEU A 69 9.537 18.732 148.923 1.00 26.46 C ATOM 603 H LEU A 69 8.899 22.686 149.445 1.00 0.00 H ATOM 604 N THR A 70 12.100 23.495 149.039 1.00 23.76 N ATOM 605 CA THR A 70 13.365 24.209 148.913 1.00 24.69 C ATOM 606 C THR A 70 13.998 24.424 150.273 1.00 33.09 C ATOM 607 O THR A 70 15.226 24.395 150.401 1.00 40.23 O ATOM 608 CB THR A 70 13.156 25.539 148.192 1.00 33.68 C ATOM 609 OG1 THR A 70 12.680 25.277 146.871 1.00 30.18 O ATOM 610 CG2 THR A 70 14.459 26.301 148.080 1.00 38.17 C ATOM 611 HG1 THR A 70 11.823 24.784 146.922 1.00 0.00 H ATOM 612 H THR A 70 11.213 23.952 148.747 1.00 0.00 H HETATM 613 N MSE A 71 13.182 24.598 151.300 1.00 32.52 N HETATM 614 CA MSE A 71 13.690 24.685 152.657 1.00 32.73 C HETATM 615 C MSE A 71 14.341 23.370 153.080 1.00 36.34 C HETATM 616 O MSE A 71 15.399 23.363 153.715 1.00 38.40 O HETATM 617 CB MSE A 71 12.565 25.049 153.607 1.00 32.09 C HETATM 618 CG MSE A 71 13.006 25.210 155.034 1.00 44.69 C HETATM 619 SE MSE A 71 11.445 25.496 156.131 1.00 62.06 S HETATM 620 CE MSE A 71 10.633 23.719 155.992 1.00 44.08 C HETATM 621 H MSE A 71 12.158 24.674 151.132 1.00 0.00 H HETATM 622 N MSE A 72 13.704 22.260 152.722 1.00 33.00 N HETATM 623 CA MSE A 72 14.285 20.939 152.954 1.00 36.00 C HETATM 624 C MSE A 72 15.684 20.842 152.379 1.00 36.34 C HETATM 625 O MSE A 72 16.642 20.586 153.106 1.00 45.82 O HETATM 626 CB MSE A 72 13.409 19.845 152.349 1.00 39.85 C HETATM 627 CG MSE A 72 11.978 19.866 152.809 1.00 42.93 C HETATM 628 SE MSE A 72 11.776 18.885 154.466 1.00 74.30 S HETATM 629 CE MSE A 72 12.441 20.223 155.705 1.00 42.48 C HETATM 630 H MSE A 72 12.772 22.333 152.267 1.00 0.00 H ATOM 631 N ALA A 73 15.797 21.066 151.069 1.00 37.00 N ATOM 632 CA ALA A 73 17.093 20.964 150.407 1.00 39.92 C ATOM 633 C ALA A 73 18.118 21.914 151.014 1.00 42.92 C ATOM 634 O ALA A 73 19.316 21.609 151.013 1.00 47.41 O ATOM 635 CB ALA A 73 16.942 21.231 148.912 1.00 40.25 C ATOM 636 H ALA A 73 14.953 21.316 150.514 1.00 0.00 H ATOM 637 N ARG A 74 17.672 23.057 151.544 1.00 41.48 N ATOM 638 CA ARG A 74 18.589 23.999 152.180 1.00 41.49 C ATOM 639 C ARG A 74 19.193 23.412 153.450 1.00 47.06 C ATOM 640 O ARG A 74 20.418 23.298 153.572 1.00 50.75 O ATOM 641 CB ARG A 74 17.873 25.314 152.487 1.00 41.13 C ATOM 642 CG ARG A 74 17.677 26.185 151.276 1.00 38.94 C ATOM 643 CD ARG A 74 17.560 27.639 151.665 1.00 46.34 C ATOM 644 NE ARG A 74 17.164 28.456 150.526 1.00 45.88 N ATOM 645 CZ ARG A 74 16.928 29.760 150.596 1.00 49.99 C ATOM 646 NH1 ARG A 74 17.050 30.396 151.756 1.00 49.33 N ATOM 647 NH2 ARG A 74 16.570 30.426 149.507 1.00 50.42 N ATOM 648 HE ARG A 74 17.060 27.989 149.602 1.00 0.00 H ATOM 649 HH12 ARG A 74 16.865 31.418 151.811 1.00 0.00 H ATOM 650 HH11 ARG A 74 17.330 29.872 152.609 1.00 0.00 H ATOM 651 HH22 ARG A 74 16.385 31.448 149.560 1.00 0.00 H ATOM 652 HH21 ARG A 74 16.475 29.926 148.600 1.00 0.00 H ATOM 653 H ARG A 74 16.657 23.279 151.503 1.00 0.00 H ATOM 654 N LYS A 75 18.346 23.036 154.416 1.00 47.08 N ATOM 655 CA LYS A 75 18.845 22.456 155.663 1.00 47.07 C ATOM 656 C LYS A 75 19.462 21.073 155.471 1.00 48.80 C ATOM 657 O LYS A 75 20.052 20.535 156.415 1.00 47.58 O ATOM 658 CB LYS A 75 17.728 22.389 156.709 1.00 45.44 C ATOM 659 CG LYS A 75 17.391 23.730 157.345 1.00 44.35 C ATOM 660 H LYS A 75 17.322 23.157 154.279 1.00 0.00 H ATOM 661 N MET A 76 19.335 20.478 154.288 1.00 44.09 N ATOM 662 CA MET A 76 20.132 19.310 153.933 1.00 43.56 C ATOM 663 C MET A 76 21.551 19.714 153.545 1.00 47.30 C ATOM 664 O MET A 76 22.513 19.033 153.909 1.00 46.63 O ATOM 665 CB MET A 76 19.444 18.540 152.798 1.00 48.95 C ATOM 666 CG MET A 76 18.170 17.790 153.228 1.00 43.76 C ATOM 667 SD MET A 76 17.580 16.492 152.105 1.00 82.37 S ATOM 668 CE MET A 76 16.754 15.392 153.257 1.00 43.51 C ATOM 669 H MET A 76 18.651 20.855 153.601 1.00 0.00 H ATOM 670 N LYS A 77 21.698 20.834 152.844 1.00 45.87 N ATOM 671 CA LYS A 77 23.028 21.358 152.550 1.00 50.60 C ATOM 672 C LYS A 77 23.709 21.859 153.821 1.00 54.26 C ATOM 673 O LYS A 77 24.793 21.390 154.187 1.00 58.04 O ATOM 674 CB LYS A 77 22.940 22.474 151.505 1.00 49.05 C ATOM 675 H LYS A 77 20.857 21.342 152.502 1.00 0.00 H ATOM 676 N ASP A 78 23.087 22.809 154.513 1.00 52.46 N ATOM 677 CA ASP A 78 23.613 23.341 155.770 1.00 51.60 C ATOM 678 C ASP A 78 22.676 22.904 156.887 1.00 53.51 C ATOM 679 O ASP A 78 21.586 23.461 157.050 1.00 53.21 O ATOM 680 CB ASP A 78 23.739 24.857 155.718 1.00 46.85 C ATOM 681 CG ASP A 78 24.364 25.335 154.440 1.00 46.89 C ATOM 682 OD1 ASP A 78 23.628 25.413 153.425 1.00 60.38 O ATOM 683 OD2 ASP A 78 25.576 25.657 154.452 1.00 62.68 O ATOM 684 H ASP A 78 22.191 23.189 154.146 1.00 0.00 H ATOM 685 N THR A 79 23.119 21.921 157.664 1.00 51.25 N ATOM 686 CA THR A 79 22.263 21.295 158.661 1.00 43.88 C ATOM 687 C THR A 79 21.895 22.286 159.757 1.00 62.25 C ATOM 688 O THR A 79 22.532 23.333 159.924 1.00 49.60 O ATOM 689 CB THR A 79 22.963 20.084 159.276 1.00 34.46 C ATOM 690 OG1 THR A 79 24.296 20.457 159.673 1.00 55.34 O ATOM 691 CG2 THR A 79 23.013 18.951 158.262 1.00 38.36 C ATOM 692 HG1 THR A 79 24.752 19.674 160.072 1.00 0.00 H ATOM 693 H THR A 79 24.100 21.592 157.557 1.00 0.00 H ATOM 694 N ASP A 80 20.844 21.945 160.507 1.00 55.08 N ATOM 695 CA ASP A 80 20.547 22.678 161.728 1.00 49.99 C ATOM 696 C ASP A 80 21.748 22.603 162.666 1.00 47.56 C ATOM 697 O ASP A 80 22.565 21.679 162.593 1.00 44.35 O ATOM 698 CB ASP A 80 19.286 22.122 162.409 1.00 41.43 C ATOM 699 CG ASP A 80 18.131 21.938 161.442 1.00 41.28 C ATOM 700 OD1 ASP A 80 17.609 20.805 161.318 1.00 51.07 O ATOM 701 OD2 ASP A 80 17.741 22.925 160.782 1.00 57.20 O ATOM 702 H ASP A 80 20.236 21.153 160.217 1.00 0.00 H ATOM 703 N SER A 81 21.879 23.611 163.525 1.00 45.82 N ATOM 704 CA SER A 81 22.969 23.607 164.486 1.00 38.07 C ATOM 705 C SER A 81 22.828 22.411 165.422 1.00 39.83 C ATOM 706 O SER A 81 21.762 21.795 165.534 1.00 29.95 O ATOM 707 CB SER A 81 22.992 24.908 165.288 1.00 42.72 C ATOM 708 OG SER A 81 21.979 24.924 166.282 1.00 30.86 O ATOM 709 HG SER A 81 22.022 25.778 166.781 1.00 0.00 H ATOM 710 H SER A 81 21.202 24.400 163.509 1.00 0.00 H ATOM 711 N GLU A 82 23.932 22.069 166.084 1.00 28.72 N ATOM 712 CA GLU A 82 23.887 20.970 167.039 1.00 28.04 C ATOM 713 C GLU A 82 22.820 21.207 168.099 1.00 31.04 C ATOM 714 O GLU A 82 22.076 20.288 168.464 1.00 18.79 O ATOM 715 CB GLU A 82 25.260 20.781 167.680 1.00 26.20 C ATOM 716 CG GLU A 82 25.489 19.373 168.194 1.00 29.93 C ATOM 717 CD GLU A 82 25.730 19.324 169.681 1.00 38.24 C ATOM 718 OE1 GLU A 82 25.909 18.208 170.210 1.00 47.12 O ATOM 719 OE2 GLU A 82 25.741 20.400 170.322 1.00 42.25 O ATOM 720 H GLU A 82 24.821 22.584 165.920 1.00 0.00 H ATOM 721 N GLU A 83 22.696 22.442 168.576 1.00 26.33 N ATOM 722 CA GLU A 83 21.792 22.686 169.689 1.00 21.25 C ATOM 723 C GLU A 83 20.338 22.514 169.273 1.00 26.81 C ATOM 724 O GLU A 83 19.520 22.053 170.073 1.00 21.42 O ATOM 725 CB GLU A 83 22.037 24.080 170.273 1.00 29.05 C ATOM 726 CG GLU A 83 21.134 24.470 171.452 1.00 30.88 C ATOM 727 CD GLU A 83 21.138 23.467 172.611 1.00 22.25 C ATOM 728 OE1 GLU A 83 22.141 22.746 172.796 1.00 29.94 O ATOM 729 OE2 GLU A 83 20.128 23.423 173.355 1.00 33.44 O ATOM 730 H GLU A 83 23.239 23.224 168.158 1.00 0.00 H ATOM 731 N GLU A 84 19.991 22.878 168.039 1.00 24.48 N ATOM 732 CA GLU A 84 18.625 22.657 167.582 1.00 28.32 C ATOM 733 C GLU A 84 18.310 21.171 167.505 1.00 20.65 C ATOM 734 O GLU A 84 17.190 20.742 167.840 1.00 17.76 O ATOM 735 CB GLU A 84 18.415 23.330 166.227 1.00 33.99 C ATOM 736 CG GLU A 84 18.515 24.831 166.294 1.00 41.01 C ATOM 737 CD GLU A 84 18.486 25.470 164.930 1.00 44.61 C ATOM 738 OE1 GLU A 84 18.257 24.746 163.938 1.00 50.20 O ATOM 739 OE2 GLU A 84 18.693 26.697 164.853 1.00 48.19 O ATOM 740 H GLU A 84 20.690 23.317 167.406 1.00 0.00 H ATOM 741 N ILE A 85 19.292 20.372 167.071 1.00 17.04 N ATOM 742 CA ILE A 85 19.100 18.929 167.005 1.00 20.70 C ATOM 743 C ILE A 85 19.019 18.351 168.403 1.00 13.92 C ATOM 744 O ILE A 85 18.203 17.464 168.670 1.00 14.54 O ATOM 745 CB ILE A 85 20.208 18.266 166.175 1.00 19.95 C ATOM 746 CG1 ILE A 85 20.170 18.801 164.751 1.00 23.62 C ATOM 747 CG2 ILE A 85 19.982 16.754 166.126 1.00 20.46 C ATOM 748 CD1 ILE A 85 21.445 18.552 163.985 1.00 38.75 C ATOM 749 H ILE A 85 20.201 20.785 166.778 1.00 0.00 H ATOM 750 N ARG A 86 19.862 18.830 169.318 1.00 12.75 N ATOM 751 CA ARG A 86 19.741 18.398 170.705 1.00 15.18 C ATOM 752 C ARG A 86 18.368 18.749 171.284 1.00 14.66 C ATOM 753 O ARG A 86 17.793 17.974 172.053 1.00 16.09 O ATOM 754 CB ARG A 86 20.851 19.032 171.532 1.00 18.77 C ATOM 755 CG ARG A 86 21.004 18.421 172.917 1.00 30.77 C ATOM 756 CD ARG A 86 21.242 16.902 172.907 1.00 28.97 C ATOM 757 NE ARG A 86 20.999 16.325 174.234 1.00 37.39 N ATOM 758 CZ ARG A 86 21.113 15.033 174.543 1.00 29.74 C ATOM 759 NH1 ARG A 86 21.459 14.166 173.621 1.00 16.95 N ATOM 760 NH2 ARG A 86 20.875 14.616 175.782 1.00 30.55 N ATOM 761 HE ARG A 86 20.715 16.976 174.994 1.00 0.00 H ATOM 762 HH12 ARG A 86 21.548 13.158 173.862 1.00 0.00 H ATOM 763 HH11 ARG A 86 21.644 14.487 172.649 1.00 0.00 H ATOM 764 HH22 ARG A 86 20.965 13.607 176.017 1.00 0.00 H ATOM 765 HH21 ARG A 86 20.598 15.299 176.516 1.00 0.00 H ATOM 766 H ARG A 86 20.602 19.508 169.044 1.00 0.00 H ATOM 767 N GLU A 87 17.838 19.939 170.964 1.00 18.27 N ATOM 768 CA GLU A 87 16.535 20.308 171.506 1.00 17.40 C ATOM 769 C GLU A 87 15.437 19.397 170.972 1.00 13.09 C ATOM 770 O GLU A 87 14.580 18.941 171.738 1.00 16.01 O ATOM 771 CB GLU A 87 16.213 21.765 171.172 1.00 19.75 C ATOM 772 CG GLU A 87 14.759 22.160 171.470 1.00 17.91 C ATOM 773 CD GLU A 87 14.406 22.160 172.953 1.00 22.43 C ATOM 774 OE1 GLU A 87 15.313 22.168 173.801 1.00 30.55 O ATOM 775 OE2 GLU A 87 13.197 22.167 173.277 1.00 27.04 O ATOM 776 H GLU A 87 18.350 20.591 170.337 1.00 0.00 H ATOM 777 N ALA A 88 15.468 19.118 169.665 1.00 15.06 N ATOM 778 CA ALA A 88 14.512 18.200 169.064 1.00 17.76 C ATOM 779 C ALA A 88 14.556 16.842 169.731 1.00 16.80 C ATOM 780 O ALA A 88 13.503 16.252 169.998 1.00 13.35 O ATOM 781 CB ALA A 88 14.775 18.055 167.568 1.00 18.59 C ATOM 782 H ALA A 88 16.190 19.566 169.065 1.00 0.00 H ATOM 783 N PHE A 89 15.763 16.321 169.978 1.00 13.43 N ATOM 784 CA PHE A 89 15.876 15.033 170.664 1.00 12.42 C ATOM 785 C PHE A 89 15.186 15.073 172.027 1.00 15.20 C ATOM 786 O PHE A 89 14.472 14.135 172.408 1.00 12.50 O ATOM 787 CB PHE A 89 17.348 14.648 170.831 1.00 11.95 C ATOM 788 CG PHE A 89 17.533 13.247 171.348 1.00 10.81 C ATOM 789 CD1 PHE A 89 17.382 12.171 170.506 1.00 12.15 C ATOM 790 CD2 PHE A 89 17.809 13.031 172.678 1.00 13.83 C ATOM 791 CE1 PHE A 89 17.495 10.887 170.994 1.00 14.63 C ATOM 792 CE2 PHE A 89 17.950 11.734 173.172 1.00 14.10 C ATOM 793 CZ PHE A 89 17.796 10.686 172.312 1.00 14.86 C ATOM 794 H PHE A 89 16.620 16.831 169.683 1.00 0.00 H ATOM 795 N ARG A 90 15.369 16.164 172.773 1.00 12.41 N ATOM 796 CA ARG A 90 14.782 16.292 174.104 1.00 12.40 C ATOM 797 C ARG A 90 13.267 16.316 174.060 1.00 14.56 C ATOM 798 O ARG A 90 12.625 15.854 175.005 1.00 22.00 O ATOM 799 CB ARG A 90 15.265 17.572 174.772 1.00 17.26 C ATOM 800 CG ARG A 90 16.652 17.505 175.324 1.00 15.09 C ATOM 801 CD ARG A 90 16.930 18.703 176.223 1.00 20.66 C ATOM 802 NE ARG A 90 16.909 19.957 175.475 1.00 23.14 N ATOM 803 CZ ARG A 90 17.983 20.586 175.012 1.00 24.44 C ATOM 804 NH1 ARG A 90 19.188 20.076 175.211 1.00 19.50 N ATOM 805 NH2 ARG A 90 17.850 21.732 174.351 1.00 24.28 N ATOM 806 HE ARG A 90 15.982 20.391 175.291 1.00 0.00 H ATOM 807 HH12 ARG A 90 20.028 20.570 174.848 1.00 0.00 H ATOM 808 HH11 ARG A 90 19.295 19.181 175.731 1.00 0.00 H ATOM 809 HH22 ARG A 90 18.692 22.224 173.989 1.00 0.00 H ATOM 810 HH21 ARG A 90 16.904 22.136 174.196 1.00 0.00 H ATOM 811 H ARG A 90 15.945 16.944 172.397 1.00 0.00 H ATOM 812 N VAL A 91 12.692 16.909 173.006 1.00 10.16 N ATOM 813 CA VAL A 91 11.241 16.886 172.814 1.00 15.25 C ATOM 814 C VAL A 91 10.705 15.461 172.728 1.00 17.44 C ATOM 815 O VAL A 91 9.636 15.162 173.278 1.00 21.19 O ATOM 816 CB VAL A 91 10.876 17.707 171.569 1.00 21.49 C ATOM 817 CG1 VAL A 91 9.406 17.521 171.195 1.00 17.57 C ATOM 818 CG2 VAL A 91 11.193 19.156 171.833 1.00 19.59 C ATOM 819 H VAL A 91 13.290 17.397 172.308 1.00 0.00 H ATOM 820 N PHE A 92 11.410 14.572 172.016 1.00 17.56 N ATOM 821 CA PHE A 92 10.970 13.182 171.902 1.00 18.93 C ATOM 822 C PHE A 92 11.292 12.391 173.159 1.00 12.83 C ATOM 823 O PHE A 92 10.443 11.639 173.657 1.00 19.18 O ATOM 824 CB PHE A 92 11.619 12.520 170.684 1.00 13.51 C ATOM 825 CG PHE A 92 11.139 13.055 169.363 1.00 15.02 C ATOM 826 CD1 PHE A 92 9.984 12.568 168.779 1.00 20.92 C ATOM 827 CD2 PHE A 92 11.859 14.040 168.694 1.00 14.36 C ATOM 828 CE1 PHE A 92 9.544 13.054 167.566 1.00 23.02 C ATOM 829 CE2 PHE A 92 11.410 14.531 167.480 1.00 24.13 C ATOM 830 CZ PHE A 92 10.248 14.015 166.920 1.00 16.97 C ATOM 831 H PHE A 92 12.282 14.875 171.538 1.00 0.00 H ATOM 832 N ASP A 93 12.518 12.546 173.683 1.00 15.39 N ATOM 833 CA ASP A 93 13.009 11.734 174.800 1.00 15.75 C ATOM 834 C ASP A 93 12.531 12.332 176.126 1.00 12.96 C ATOM 835 O ASP A 93 13.295 12.813 176.958 1.00 16.30 O ATOM 836 CB ASP A 93 14.527 11.615 174.743 1.00 14.37 C ATOM 837 CG ASP A 93 15.093 10.740 175.860 1.00 16.68 C ATOM 838 OD1 ASP A 93 14.409 9.761 176.287 1.00 16.09 O ATOM 839 OD2 ASP A 93 16.227 11.026 176.309 1.00 16.39 O ATOM 840 H ASP A 93 13.145 13.272 173.280 1.00 0.00 H ATOM 841 N LYS A 94 11.217 12.218 176.351 1.00 20.94 N ATOM 842 CA LYS A 94 10.601 12.946 177.457 1.00 29.20 C ATOM 843 C LYS A 94 10.984 12.404 178.830 1.00 19.10 C ATOM 844 O LYS A 94 10.957 13.162 179.801 1.00 26.29 O ATOM 845 CB LYS A 94 9.079 12.968 177.309 1.00 27.25 C ATOM 846 CG LYS A 94 8.571 13.979 176.275 1.00 29.85 C ATOM 847 CD LYS A 94 8.921 15.411 176.685 1.00 38.14 C ATOM 848 CE LYS A 94 7.831 16.403 176.296 1.00 19.99 C ATOM 849 NZ LYS A 94 7.686 16.554 174.815 1.00 29.24 N ATOM 850 HZ1 LYS A 94 8.583 16.893 174.413 1.00 0.00 H ATOM 851 HZ2 LYS A 94 7.443 15.634 174.396 1.00 0.00 H ATOM 852 HZ3 LYS A 94 6.932 17.240 174.610 1.00 0.00 H ATOM 853 H LYS A 94 10.635 11.611 175.739 1.00 0.00 H ATOM 854 N ASP A 95 11.367 11.140 178.959 1.00 20.61 N ATOM 855 CA ASP A 95 11.875 10.736 180.261 1.00 18.22 C ATOM 856 C ASP A 95 13.365 10.985 180.402 1.00 13.42 C ATOM 857 O ASP A 95 13.915 10.764 181.484 1.00 19.37 O ATOM 858 CB ASP A 95 11.537 9.276 180.567 1.00 22.05 C ATOM 859 CG ASP A 95 12.205 8.292 179.639 1.00 20.44 C ATOM 860 OD1 ASP A 95 12.942 8.699 178.729 1.00 19.36 O ATOM 861 OD2 ASP A 95 11.966 7.085 179.823 1.00 21.59 O ATOM 862 H ASP A 95 11.307 10.469 178.166 1.00 0.00 H ATOM 863 N GLY A 96 14.023 11.434 179.340 1.00 14.22 N ATOM 864 CA GLY A 96 15.402 11.856 179.411 1.00 19.98 C ATOM 865 C GLY A 96 16.401 10.732 179.489 1.00 14.01 C ATOM 866 O GLY A 96 17.565 10.989 179.820 1.00 13.25 O ATOM 867 H GLY A 96 13.529 11.483 178.426 1.00 0.00 H ATOM 868 N ASN A 97 15.997 9.493 179.216 1.00 14.89 N ATOM 869 CA ASN A 97 16.953 8.436 179.484 1.00 11.99 C ATOM 870 C ASN A 97 17.971 8.237 178.361 1.00 14.00 C ATOM 871 O ASN A 97 18.800 7.341 178.475 1.00 13.21 O ATOM 872 CB ASN A 97 16.242 7.092 179.794 1.00 10.90 C ATOM 873 CG ASN A 97 15.662 6.436 178.577 1.00 14.26 C ATOM 874 OD1 ASN A 97 15.360 7.089 177.574 1.00 14.07 O ATOM 875 ND2 ASN A 97 15.461 5.106 178.670 1.00 14.76 N ATOM 876 HD22 ASN A 97 15.732 4.598 179.536 1.00 0.00 H ATOM 877 HD21 ASN A 97 15.035 4.588 177.875 1.00 0.00 H ATOM 878 H ASN A 97 15.051 9.295 178.833 1.00 0.00 H ATOM 879 N GLY A 98 17.918 9.006 177.279 1.00 13.22 N ATOM 880 CA GLY A 98 18.835 8.833 176.165 1.00 10.52 C ATOM 881 C GLY A 98 18.315 8.035 174.995 1.00 13.51 C ATOM 882 O GLY A 98 19.055 7.810 174.033 1.00 13.67 O ATOM 883 H GLY A 98 17.198 9.755 177.228 1.00 0.00 H ATOM 884 N TYR A 99 17.073 7.568 175.057 1.00 12.53 N ATOM 885 CA TYR A 99 16.522 6.707 174.025 1.00 9.76 C ATOM 886 C TYR A 99 15.095 7.135 173.738 1.00 12.30 C ATOM 887 O TYR A 99 14.303 7.320 174.663 1.00 13.27 O ATOM 888 CB TYR A 99 16.556 5.223 174.460 1.00 10.96 C ATOM 889 CG TYR A 99 17.978 4.722 174.748 1.00 10.93 C ATOM 890 CD1 TYR A 99 18.532 4.852 176.016 1.00 11.90 C ATOM 891 CD2 TYR A 99 18.762 4.168 173.741 1.00 12.54 C ATOM 892 CE1 TYR A 99 19.832 4.427 176.282 1.00 15.26 C ATOM 893 CE2 TYR A 99 20.058 3.714 174.008 1.00 13.64 C ATOM 894 CZ TYR A 99 20.579 3.862 175.277 1.00 20.37 C ATOM 895 OH TYR A 99 21.862 3.453 175.533 1.00 22.81 O ATOM 896 HH TYR A 99 22.080 3.628 176.483 1.00 0.00 H ATOM 897 H TYR A 99 16.477 7.827 175.869 1.00 0.00 H ATOM 898 N ILE A 100 14.769 7.281 172.465 1.00 10.09 N ATOM 899 CA ILE A 100 13.388 7.527 172.072 1.00 11.63 C ATOM 900 C ILE A 100 12.751 6.160 171.852 1.00 11.40 C ATOM 901 O ILE A 100 13.191 5.394 170.993 1.00 13.23 O ATOM 902 CB ILE A 100 13.312 8.392 170.810 1.00 10.28 C ATOM 903 CG1 ILE A 100 14.126 9.683 171.023 1.00 10.35 C ATOM 904 CG2 ILE A 100 11.803 8.637 170.419 1.00 19.74 C ATOM 905 CD1 ILE A 100 14.404 10.414 169.734 1.00 12.48 C ATOM 906 H ILE A 100 15.508 7.219 171.735 1.00 0.00 H ATOM 907 N SER A 101 11.689 5.875 172.602 1.00 11.24 N ATOM 908 CA SER A 101 10.836 4.704 172.460 1.00 15.45 C ATOM 909 C SER A 101 9.680 4.975 171.504 1.00 12.82 C ATOM 910 O SER A 101 9.373 6.124 171.158 1.00 13.04 O ATOM 911 CB SER A 101 10.252 4.303 173.815 1.00 13.54 C ATOM 912 OG SER A 101 9.332 5.297 174.228 1.00 13.03 O ATOM 913 HG SER A 101 8.948 5.046 175.105 1.00 0.00 H ATOM 914 H SER A 101 11.447 6.549 173.356 1.00 0.00 H ATOM 915 N ALA A 102 9.044 3.889 171.060 1.00 15.70 N ATOM 916 CA ALA A 102 7.817 3.999 170.268 1.00 11.51 C ATOM 917 C ALA A 102 6.741 4.786 170.991 1.00 17.33 C ATOM 918 O ALA A 102 6.020 5.557 170.361 1.00 15.78 O ATOM 919 CB ALA A 102 7.307 2.603 169.917 1.00 16.12 C ATOM 920 H ALA A 102 9.427 2.947 171.280 1.00 0.00 H ATOM 921 N ALA A 103 6.595 4.575 172.302 1.00 20.49 N ATOM 922 CA ALA A 103 5.587 5.305 173.053 1.00 20.35 C ATOM 923 C ALA A 103 5.880 6.795 173.048 1.00 16.50 C ATOM 924 O ALA A 103 4.964 7.611 172.921 1.00 19.59 O ATOM 925 CB ALA A 103 5.509 4.778 174.486 1.00 18.58 C ATOM 926 H ALA A 103 7.205 3.886 172.787 1.00 0.00 H ATOM 927 N GLU A 104 7.161 7.161 173.187 1.00 14.83 N ATOM 928 CA GLU A 104 7.548 8.563 173.175 1.00 12.26 C ATOM 929 C GLU A 104 7.308 9.175 171.808 1.00 14.33 C ATOM 930 O GLU A 104 6.771 10.278 171.709 1.00 13.92 O ATOM 931 CB GLU A 104 9.016 8.735 173.606 1.00 13.67 C ATOM 932 CG GLU A 104 9.227 8.549 175.109 1.00 15.61 C ATOM 933 CD GLU A 104 10.676 8.591 175.549 1.00 15.26 C ATOM 934 OE1 GLU A 104 11.536 8.124 174.791 1.00 16.76 O ATOM 935 OE2 GLU A 104 10.968 9.095 176.661 1.00 18.23 O ATOM 936 H GLU A 104 7.891 6.430 173.306 1.00 0.00 H ATOM 937 N LEU A 105 7.646 8.458 170.741 1.00 13.54 N ATOM 938 CA LEU A 105 7.368 8.949 169.403 1.00 13.20 C ATOM 939 C LEU A 105 5.864 9.134 169.215 1.00 14.58 C ATOM 940 O LEU A 105 5.422 10.130 168.635 1.00 15.10 O ATOM 941 CB LEU A 105 7.935 7.989 168.351 1.00 13.73 C ATOM 942 CG LEU A 105 7.523 8.295 166.914 1.00 16.64 C ATOM 943 CD1 LEU A 105 7.839 9.711 166.533 1.00 18.10 C ATOM 944 CD2 LEU A 105 8.137 7.336 165.901 1.00 14.04 C ATOM 945 H LEU A 105 8.114 7.537 170.866 1.00 0.00 H ATOM 946 N ARG A 106 5.072 8.221 169.775 1.00 15.04 N ATOM 947 CA ARG A 106 3.620 8.288 169.643 1.00 14.63 C ATOM 948 C ARG A 106 3.076 9.529 170.337 1.00 12.66 C ATOM 949 O ARG A 106 2.227 10.241 169.786 1.00 16.77 O ATOM 950 CB ARG A 106 2.997 7.025 170.235 1.00 12.33 C ATOM 951 CG ARG A 106 1.542 7.133 170.726 1.00 18.69 C ATOM 952 CD ARG A 106 0.592 7.217 169.548 1.00 29.33 C ATOM 953 NE ARG A 106 0.311 5.908 168.978 1.00 27.21 N ATOM 954 CZ ARG A 106 -0.450 5.718 167.904 1.00 35.11 C ATOM 955 NH1 ARG A 106 -0.990 6.757 167.274 1.00 28.63 N ATOM 956 NH2 ARG A 106 -0.665 4.492 167.452 1.00 28.92 N ATOM 957 HE ARG A 106 0.729 5.073 169.437 1.00 0.00 H ATOM 958 HH12 ARG A 106 -1.585 6.604 166.434 1.00 0.00 H ATOM 959 HH11 ARG A 106 -0.818 7.722 167.621 1.00 0.00 H ATOM 960 HH22 ARG A 106 -1.260 4.344 166.612 1.00 0.00 H ATOM 961 HH21 ARG A 106 -0.239 3.677 167.937 1.00 0.00 H ATOM 962 H ARG A 106 5.498 7.443 170.318 1.00 0.00 H ATOM 963 N HIS A 107 3.575 9.812 171.540 1.00 14.33 N ATOM 964 CA HIS A 107 3.108 10.978 172.283 1.00 15.89 C ATOM 965 C HIS A 107 3.345 12.271 171.510 1.00 19.20 C ATOM 966 O HIS A 107 2.491 13.164 171.509 1.00 18.77 O ATOM 967 CB HIS A 107 3.798 11.026 173.637 1.00 16.33 C ATOM 968 CG HIS A 107 3.491 9.859 174.506 1.00 18.62 C ATOM 969 ND1 HIS A 107 4.292 9.485 175.563 1.00 25.20 N ATOM 970 CD2 HIS A 107 2.473 8.968 174.475 1.00 17.21 C ATOM 971 CE1 HIS A 107 3.768 8.438 176.162 1.00 23.24 C ATOM 972 NE2 HIS A 107 2.668 8.093 175.514 1.00 24.00 N ATOM 973 H HIS A 107 4.304 9.196 171.953 1.00 0.00 H ATOM 974 N VAL A 108 4.512 12.409 170.877 1.00 18.01 N ATOM 975 CA VAL A 108 4.778 13.587 170.063 1.00 21.52 C ATOM 976 C VAL A 108 3.855 13.620 168.847 1.00 20.37 C ATOM 977 O VAL A 108 3.315 14.670 168.496 1.00 17.52 O ATOM 978 CB VAL A 108 6.268 13.637 169.675 1.00 14.47 C ATOM 979 CG1 VAL A 108 6.538 14.784 168.717 1.00 23.12 C ATOM 980 CG2 VAL A 108 7.109 13.748 170.924 1.00 13.61 C ATOM 981 H VAL A 108 5.237 11.669 170.966 1.00 0.00 H HETATM 982 N MSE A 109 3.642 12.487 168.186 1.00 15.94 N HETATM 983 CA MSE A 109 2.755 12.502 167.021 1.00 18.92 C HETATM 984 C MSE A 109 1.332 12.922 167.412 1.00 20.54 C HETATM 985 O MSE A 109 0.661 13.598 166.638 1.00 22.65 O HETATM 986 CB MSE A 109 2.726 11.130 166.303 1.00 24.41 C HETATM 987 CG MSE A 109 3.967 10.736 165.500 1.00 31.60 C HETATM 988 SE MSE A 109 4.797 12.037 164.298 1.00 39.07 S HETATM 989 CE MSE A 109 3.791 11.796 162.655 1.00 44.64 C HETATM 990 H MSE A 109 4.098 11.604 168.491 1.00 0.00 H ATOM 991 N THR A 110 0.883 12.550 168.614 1.00 17.11 N ATOM 992 CA THR A 110 -0.455 12.934 169.048 1.00 21.07 C ATOM 993 C THR A 110 -0.540 14.428 169.290 1.00 20.61 C ATOM 994 O THR A 110 -1.599 15.038 169.075 1.00 24.45 O ATOM 995 CB THR A 110 -0.845 12.173 170.311 1.00 20.25 C ATOM 996 OG1 THR A 110 -0.707 10.774 170.077 1.00 24.23 O ATOM 997 CG2 THR A 110 -2.295 12.484 170.704 1.00 17.88 C ATOM 998 HG1 THR A 110 0.233 10.571 169.843 1.00 0.00 H ATOM 999 H THR A 110 1.490 11.985 169.242 1.00 0.00 H ATOM 1000 N ASN A 111 0.552 15.035 169.734 1.00 19.15 N ATOM 1001 CA ASN A 111 0.531 16.483 169.869 1.00 24.40 C ATOM 1002 C ASN A 111 0.520 17.175 168.521 1.00 27.47 C ATOM 1003 O ASN A 111 -0.025 18.278 168.400 1.00 28.89 O ATOM 1004 CB ASN A 111 1.718 16.934 170.696 1.00 28.85 C ATOM 1005 CG ASN A 111 1.417 16.891 172.143 1.00 30.37 C ATOM 1006 OD1 ASN A 111 0.553 17.631 172.625 1.00 31.26 O ATOM 1007 ND2 ASN A 111 2.106 16.010 172.866 1.00 39.94 N ATOM 1008 HD22 ASN A 111 2.823 15.411 172.410 1.00 0.00 H ATOM 1009 HD21 ASN A 111 1.927 15.921 173.887 1.00 0.00 H ATOM 1010 H ASN A 111 1.403 14.489 169.980 1.00 0.00 H ATOM 1011 N LEU A 112 1.092 16.556 167.496 1.00 28.53 N ATOM 1012 CA LEU A 112 1.039 17.165 166.176 1.00 28.17 C ATOM 1013 C LEU A 112 -0.265 16.879 165.451 1.00 34.66 C ATOM 1014 O LEU A 112 -0.438 17.334 164.313 1.00 33.92 O ATOM 1015 CB LEU A 112 2.203 16.680 165.327 1.00 31.06 C ATOM 1016 CG LEU A 112 3.557 17.185 165.778 1.00 30.34 C ATOM 1017 CD1 LEU A 112 4.608 16.202 165.321 1.00 36.67 C ATOM 1018 CD2 LEU A 112 3.796 18.572 165.197 1.00 29.88 C ATOM 1019 H LEU A 112 1.573 15.645 167.635 1.00 0.00 H ATOM 1020 N GLY A 113 -1.176 16.146 166.084 1.00 25.53 N ATOM 1021 CA GLY A 113 -2.423 15.781 165.449 1.00 35.29 C ATOM 1022 C GLY A 113 -2.248 14.785 164.335 1.00 39.90 C ATOM 1023 O GLY A 113 -2.974 14.838 163.341 1.00 41.40 O ATOM 1024 H GLY A 113 -0.988 15.828 167.056 1.00 0.00 H ATOM 1025 N GLU A 114 -1.282 13.892 164.454 1.00 30.83 N ATOM 1026 CA GLU A 114 -1.056 12.882 163.438 1.00 34.10 C ATOM 1027 C GLU A 114 -1.667 11.570 163.909 1.00 37.26 C ATOM 1028 O GLU A 114 -1.282 11.046 164.960 1.00 40.22 O ATOM 1029 CB GLU A 114 0.430 12.716 163.148 1.00 37.25 C ATOM 1030 CG GLU A 114 0.698 11.655 162.100 1.00 40.25 C ATOM 1031 CD GLU A 114 0.462 12.132 160.684 1.00 46.64 C ATOM 1032 OE1 GLU A 114 -0.720 12.182 160.283 1.00 48.43 O ATOM 1033 OE2 GLU A 114 1.445 12.458 159.978 1.00 46.77 O ATOM 1034 H GLU A 114 -0.670 13.914 165.295 1.00 0.00 H ATOM 1035 N LYS A 115 -2.638 11.062 163.148 1.00 34.04 N ATOM 1036 CA LYS A 115 -3.236 9.764 163.426 1.00 34.31 C ATOM 1037 C LYS A 115 -2.370 8.666 162.824 1.00 32.78 C ATOM 1038 O LYS A 115 -2.022 8.713 161.640 1.00 33.98 O ATOM 1039 CB LYS A 115 -4.654 9.694 162.862 1.00 38.97 C ATOM 1040 CG LYS A 115 -5.641 10.652 163.521 1.00 41.74 C ATOM 1041 CD LYS A 115 -6.297 10.025 164.745 1.00 49.42 C ATOM 1042 CE LYS A 115 -7.430 9.078 164.359 1.00 49.45 C ATOM 1043 NZ LYS A 115 -8.691 9.794 163.993 1.00 49.22 N ATOM 1044 HZ1 LYS A 115 -9.014 10.361 164.803 1.00 0.00 H ATOM 1045 HZ2 LYS A 115 -8.510 10.419 163.181 1.00 0.00 H ATOM 1046 HZ3 LYS A 115 -9.422 9.099 163.741 1.00 0.00 H ATOM 1047 H LYS A 115 -2.978 11.610 162.332 1.00 0.00 H ATOM 1048 N LEU A 116 -2.009 7.687 163.644 1.00 31.21 N ATOM 1049 CA LEU A 116 -1.124 6.608 163.224 1.00 27.07 C ATOM 1050 C LEU A 116 -1.517 5.345 163.964 1.00 26.63 C ATOM 1051 O LEU A 116 -1.878 5.409 165.140 1.00 34.12 O ATOM 1052 CB LEU A 116 0.345 6.930 163.527 1.00 27.33 C ATOM 1053 CG LEU A 116 1.048 8.001 162.709 1.00 35.00 C ATOM 1054 CD1 LEU A 116 2.391 8.294 163.341 1.00 31.85 C ATOM 1055 CD2 LEU A 116 1.211 7.557 161.267 1.00 37.76 C ATOM 1056 H LEU A 116 -2.370 7.690 164.619 1.00 0.00 H ATOM 1057 N THR A 117 -1.429 4.202 163.283 1.00 23.60 N ATOM 1058 CA THR A 117 -1.566 2.942 163.993 1.00 24.32 C ATOM 1059 C THR A 117 -0.304 2.656 164.799 1.00 26.16 C ATOM 1060 O THR A 117 0.736 3.297 164.630 1.00 21.76 O ATOM 1061 CB THR A 117 -1.849 1.790 163.030 1.00 30.49 C ATOM 1062 OG1 THR A 117 -0.723 1.610 162.163 1.00 26.75 O ATOM 1063 CG2 THR A 117 -3.096 2.080 162.198 1.00 26.62 C ATOM 1064 HG1 THR A 117 -0.905 0.864 161.538 1.00 0.00 H ATOM 1065 H THR A 117 -1.264 4.212 162.256 1.00 0.00 H ATOM 1066 N ASP A 118 -0.415 1.675 165.697 1.00 25.76 N ATOM 1067 CA ASP A 118 0.738 1.253 166.481 1.00 17.62 C ATOM 1068 C ASP A 118 1.826 0.671 165.590 1.00 27.86 C ATOM 1069 O ASP A 118 3.015 0.967 165.768 1.00 21.25 O ATOM 1070 CB ASP A 118 0.305 0.238 167.530 1.00 25.50 C ATOM 1071 CG ASP A 118 -0.370 0.881 168.710 1.00 32.56 C ATOM 1072 OD1 ASP A 118 -0.224 2.114 168.881 1.00 30.79 O ATOM 1073 OD2 ASP A 118 -1.034 0.147 169.475 1.00 39.26 O ATOM 1074 H ASP A 118 -1.333 1.207 165.838 1.00 0.00 H ATOM 1075 N GLU A 119 1.437 -0.160 164.620 1.00 27.59 N ATOM 1076 CA GLU A 119 2.409 -0.697 163.677 1.00 26.99 C ATOM 1077 C GLU A 119 3.104 0.420 162.902 1.00 20.72 C ATOM 1078 O GLU A 119 4.310 0.338 162.636 1.00 20.02 O ATOM 1079 CB GLU A 119 1.726 -1.685 162.725 1.00 22.23 C ATOM 1080 CG GLU A 119 0.675 -2.613 163.378 1.00 37.15 C ATOM 1081 CD GLU A 119 -0.745 -2.006 163.460 1.00 37.82 C ATOM 1082 OE1 GLU A 119 -1.580 -2.303 162.566 1.00 59.95 O ATOM 1083 OE2 GLU A 119 -1.041 -1.276 164.432 1.00 39.68 O ATOM 1084 H GLU A 119 0.435 -0.425 164.537 1.00 0.00 H ATOM 1085 N GLU A 120 2.371 1.479 162.549 1.00 23.17 N ATOM 1086 CA GLU A 120 2.986 2.580 161.814 1.00 23.61 C ATOM 1087 C GLU A 120 4.033 3.296 162.662 1.00 21.41 C ATOM 1088 O GLU A 120 5.095 3.680 162.164 1.00 22.15 O ATOM 1089 CB GLU A 120 1.912 3.561 161.338 1.00 26.94 C ATOM 1090 CG GLU A 120 1.259 3.142 160.027 1.00 21.04 C ATOM 1091 CD GLU A 120 -0.019 3.904 159.689 1.00 35.78 C ATOM 1092 OE1 GLU A 120 -0.638 4.503 160.588 1.00 35.03 O ATOM 1093 OE2 GLU A 120 -0.408 3.884 158.503 1.00 42.30 O ATOM 1094 H GLU A 120 1.362 1.519 162.798 1.00 0.00 H ATOM 1095 N VAL A 121 3.737 3.506 163.943 1.00 18.73 N ATOM 1096 CA VAL A 121 4.736 4.079 164.840 1.00 19.16 C ATOM 1097 C VAL A 121 5.945 3.152 164.944 1.00 16.00 C ATOM 1098 O VAL A 121 7.104 3.601 164.894 1.00 18.30 O ATOM 1099 CB VAL A 121 4.116 4.346 166.220 1.00 20.77 C ATOM 1100 CG1 VAL A 121 5.173 4.887 167.189 1.00 16.42 C ATOM 1101 CG2 VAL A 121 2.930 5.307 166.095 1.00 20.98 C ATOM 1102 H VAL A 121 2.793 3.262 164.305 1.00 0.00 H ATOM 1103 N ASP A 122 5.691 1.846 165.100 1.00 20.39 N ATOM 1104 CA ASP A 122 6.779 0.875 165.196 1.00 20.06 C ATOM 1105 C ASP A 122 7.643 0.894 163.942 1.00 18.85 C ATOM 1106 O ASP A 122 8.875 0.782 164.024 1.00 23.58 O ATOM 1107 CB ASP A 122 6.216 -0.527 165.442 1.00 22.00 C ATOM 1108 CG ASP A 122 5.693 -0.712 166.851 1.00 26.21 C ATOM 1109 OD1 ASP A 122 5.995 0.122 167.728 1.00 25.72 O ATOM 1110 OD2 ASP A 122 4.983 -1.712 167.087 1.00 28.21 O ATOM 1111 H ASP A 122 4.705 1.518 165.154 1.00 0.00 H ATOM 1112 N GLU A 123 7.019 1.061 162.773 1.00 19.29 N ATOM 1113 CA GLU A 123 7.774 1.180 161.529 1.00 19.07 C ATOM 1114 C GLU A 123 8.701 2.392 161.533 1.00 16.19 C ATOM 1115 O GLU A 123 9.824 2.317 161.022 1.00 20.99 O ATOM 1116 CB GLU A 123 6.837 1.281 160.329 1.00 20.89 C ATOM 1117 CG GLU A 123 6.006 0.037 160.033 1.00 31.51 C ATOM 1118 CD GLU A 123 4.819 0.358 159.130 1.00 42.26 C ATOM 1119 OE1 GLU A 123 3.814 -0.391 159.166 1.00 46.32 O ATOM 1120 OE2 GLU A 123 4.893 1.367 158.386 1.00 44.41 O ATOM 1121 H GLU A 123 5.980 1.107 162.748 1.00 0.00 H HETATM 1122 N MSE A 124 8.237 3.540 162.031 1.00 20.92 N HETATM 1123 CA MSE A 124 9.128 4.697 162.009 1.00 22.69 C HETATM 1124 C MSE A 124 10.313 4.464 162.929 1.00 16.21 C HETATM 1125 O MSE A 124 11.437 4.849 162.609 1.00 19.38 O HETATM 1126 CB MSE A 124 8.419 5.994 162.384 1.00 30.23 C HETATM 1127 CG MSE A 124 7.242 6.298 161.482 1.00 25.00 C HETATM 1128 SE MSE A 124 5.959 7.559 162.262 1.00 31.43 S HETATM 1129 CE MSE A 124 7.106 9.081 162.294 1.00 25.00 C HETATM 1130 H MSE A 124 7.275 3.608 162.421 1.00 0.00 H ATOM 1131 N ILE A 125 10.065 3.829 164.071 1.00 13.89 N ATOM 1132 CA ILE A 125 11.167 3.558 164.983 1.00 20.64 C ATOM 1133 C ILE A 125 12.176 2.630 164.319 1.00 17.33 C ATOM 1134 O ILE A 125 13.389 2.869 164.353 1.00 13.47 O ATOM 1135 CB ILE A 125 10.646 2.969 166.302 1.00 13.88 C ATOM 1136 CG1 ILE A 125 10.002 4.042 167.171 1.00 15.07 C ATOM 1137 CG2 ILE A 125 11.786 2.306 167.056 1.00 19.00 C ATOM 1138 CD1 ILE A 125 11.041 4.927 167.837 1.00 15.15 C ATOM 1139 H ILE A 125 9.098 3.530 164.309 1.00 0.00 H ATOM 1140 N ARG A 126 11.688 1.554 163.708 1.00 19.71 N ATOM 1141 CA ARG A 126 12.596 0.608 163.071 1.00 17.73 C ATOM 1142 C ARG A 126 13.425 1.271 161.983 1.00 19.14 C ATOM 1143 O ARG A 126 14.624 1.001 161.862 1.00 20.70 O ATOM 1144 CB ARG A 126 11.815 -0.577 162.502 1.00 17.21 C ATOM 1145 CG ARG A 126 11.203 -1.438 163.569 1.00 26.15 C ATOM 1146 CD ARG A 126 10.636 -2.716 162.987 1.00 28.96 C ATOM 1147 NE ARG A 126 9.614 -3.242 163.881 1.00 40.03 N ATOM 1148 CZ ARG A 126 8.314 -3.229 163.610 1.00 30.85 C ATOM 1149 NH1 ARG A 126 7.879 -2.732 162.460 1.00 36.98 N ATOM 1150 NH2 ARG A 126 7.449 -3.720 164.488 1.00 45.97 N ATOM 1151 HE ARG A 126 9.921 -3.652 164.786 1.00 0.00 H ATOM 1152 HH12 ARG A 126 6.861 -2.723 162.250 1.00 0.00 H ATOM 1153 HH11 ARG A 126 8.556 -2.352 161.769 1.00 0.00 H ATOM 1154 HH22 ARG A 126 6.431 -3.710 164.276 1.00 0.00 H ATOM 1155 HH21 ARG A 126 7.789 -4.115 165.388 1.00 0.00 H ATOM 1156 H ARG A 126 10.662 1.388 163.685 1.00 0.00 H ATOM 1157 N GLU A 127 12.834 2.187 161.217 1.00 19.69 N ATOM 1158 CA GLU A 127 13.581 2.780 160.114 1.00 21.60 C ATOM 1159 C GLU A 127 14.785 3.558 160.625 1.00 13.98 C ATOM 1160 O GLU A 127 15.876 3.486 160.043 1.00 20.17 O ATOM 1161 CB GLU A 127 12.660 3.660 159.266 1.00 19.76 C ATOM 1162 CG GLU A 127 13.330 4.284 158.039 1.00 30.39 C ATOM 1163 CD GLU A 127 13.727 3.246 156.999 1.00 41.85 C ATOM 1164 OE1 GLU A 127 13.093 2.163 156.949 1.00 32.83 O ATOM 1165 OE2 GLU A 127 14.682 3.514 156.238 1.00 47.27 O ATOM 1166 H GLU A 127 11.852 2.475 161.403 1.00 0.00 H ATOM 1167 N ALA A 128 14.629 4.241 161.761 1.00 15.57 N ATOM 1168 CA ALA A 128 15.662 5.107 162.319 1.00 14.23 C ATOM 1169 C ALA A 128 16.676 4.351 163.165 1.00 17.86 C ATOM 1170 O ALA A 128 17.822 4.803 163.326 1.00 16.35 O ATOM 1171 CB ALA A 128 15.007 6.184 163.186 1.00 18.77 C ATOM 1172 H ALA A 128 13.728 4.152 162.273 1.00 0.00 H ATOM 1173 N ASP A 129 16.264 3.218 163.706 1.00 15.89 N ATOM 1174 CA ASP A 129 17.119 2.391 164.546 1.00 12.43 C ATOM 1175 C ASP A 129 18.285 1.846 163.722 1.00 11.56 C ATOM 1176 O ASP A 129 18.086 1.355 162.609 1.00 18.77 O ATOM 1177 CB ASP A 129 16.225 1.284 165.109 1.00 14.89 C ATOM 1178 CG ASP A 129 16.911 0.395 166.117 1.00 12.17 C ATOM 1179 OD1 ASP A 129 18.020 0.761 166.595 1.00 13.54 O ATOM 1180 OD2 ASP A 129 16.274 -0.661 166.391 1.00 14.47 O ATOM 1181 H ASP A 129 15.289 2.904 163.524 1.00 0.00 H ATOM 1182 N ILE A 130 19.504 1.951 164.238 1.00 15.03 N ATOM 1183 CA ILE A 130 20.676 1.425 163.546 1.00 14.45 C ATOM 1184 C ILE A 130 21.223 0.168 164.231 1.00 18.28 C ATOM 1185 O ILE A 130 21.536 -0.815 163.563 1.00 20.71 O ATOM 1186 CB ILE A 130 21.771 2.502 163.395 1.00 22.90 C ATOM 1187 CG1 ILE A 130 21.237 3.628 162.529 1.00 16.05 C ATOM 1188 CG2 ILE A 130 23.027 1.919 162.733 1.00 21.17 C ATOM 1189 CD1 ILE A 130 22.083 4.851 162.514 1.00 16.60 C ATOM 1190 H ILE A 130 19.626 2.420 165.158 1.00 0.00 H ATOM 1191 N ASP A 131 21.376 0.204 165.554 1.00 17.14 N ATOM 1192 CA ASP A 131 21.924 -0.921 166.297 1.00 12.94 C ATOM 1193 C ASP A 131 20.896 -2.023 166.538 1.00 17.22 C ATOM 1194 O ASP A 131 21.283 -3.123 166.951 1.00 16.87 O ATOM 1195 CB ASP A 131 22.550 -0.441 167.611 1.00 14.59 C ATOM 1196 CG ASP A 131 21.610 0.385 168.479 1.00 16.44 C ATOM 1197 OD1 ASP A 131 20.352 0.222 168.400 1.00 14.16 O ATOM 1198 OD2 ASP A 131 22.167 1.153 169.288 1.00 21.57 O ATOM 1199 H ASP A 131 21.095 1.062 166.071 1.00 0.00 H ATOM 1200 N GLY A 132 19.611 -1.770 166.299 1.00 15.14 N ATOM 1201 CA GLY A 132 18.612 -2.816 166.408 1.00 13.28 C ATOM 1202 C GLY A 132 18.080 -3.062 167.795 1.00 13.39 C ATOM 1203 O GLY A 132 17.410 -4.093 168.009 1.00 13.80 O ATOM 1204 H GLY A 132 19.319 -0.809 166.030 1.00 0.00 H ATOM 1205 N ASP A 133 18.341 -2.148 168.748 1.00 14.84 N ATOM 1206 CA ASP A 133 17.738 -2.295 170.064 1.00 14.44 C ATOM 1207 C ASP A 133 16.274 -1.887 170.101 1.00 13.84 C ATOM 1208 O ASP A 133 15.664 -1.985 171.162 1.00 13.06 O ATOM 1209 CB ASP A 133 18.531 -1.533 171.127 1.00 13.41 C ATOM 1210 CG ASP A 133 18.450 -0.019 170.996 1.00 11.79 C ATOM 1211 OD1 ASP A 133 17.856 0.488 170.032 1.00 13.44 O ATOM 1212 OD2 ASP A 133 18.981 0.630 171.918 1.00 16.46 O ATOM 1213 H ASP A 133 18.968 -1.344 168.545 1.00 0.00 H ATOM 1214 N GLY A 134 15.718 -1.423 168.989 1.00 12.08 N ATOM 1215 CA GLY A 134 14.330 -1.030 168.963 1.00 15.68 C ATOM 1216 C GLY A 134 14.039 0.325 169.564 1.00 11.39 C ATOM 1217 O GLY A 134 12.875 0.619 169.816 1.00 14.10 O ATOM 1218 H GLY A 134 16.290 -1.342 168.125 1.00 0.00 H ATOM 1219 N GLN A 135 15.067 1.151 169.804 1.00 8.83 N ATOM 1220 CA GLN A 135 14.906 2.525 170.270 1.00 12.07 C ATOM 1221 C GLN A 135 15.858 3.391 169.466 1.00 11.13 C ATOM 1222 O GLN A 135 16.741 2.894 168.773 1.00 11.70 O ATOM 1223 CB GLN A 135 15.197 2.670 171.768 1.00 12.05 C ATOM 1224 CG GLN A 135 14.383 1.736 172.645 1.00 11.10 C ATOM 1225 CD GLN A 135 14.464 2.153 174.087 1.00 11.85 C ATOM 1226 OE1 GLN A 135 15.386 1.784 174.817 1.00 18.90 O ATOM 1227 NE2 GLN A 135 13.534 2.994 174.485 1.00 17.84 N ATOM 1228 HE22 GLN A 135 12.775 3.277 173.833 1.00 0.00 H ATOM 1229 HE21 GLN A 135 13.558 3.376 175.452 1.00 0.00 H ATOM 1230 H GLN A 135 16.031 0.794 169.650 1.00 0.00 H ATOM 1231 N VAL A 136 15.675 4.708 169.553 1.00 11.04 N ATOM 1232 CA VAL A 136 16.510 5.647 168.818 1.00 13.14 C ATOM 1233 C VAL A 136 17.319 6.479 169.806 1.00 11.98 C ATOM 1234 O VAL A 136 16.765 7.335 170.515 1.00 13.92 O ATOM 1235 CB VAL A 136 15.676 6.549 167.903 1.00 9.06 C ATOM 1236 CG1 VAL A 136 16.613 7.513 167.211 1.00 12.03 C ATOM 1237 CG2 VAL A 136 14.979 5.707 166.895 1.00 12.93 C ATOM 1238 H VAL A 136 14.916 5.075 170.162 1.00 0.00 H ATOM 1239 N ASN A 137 18.651 6.298 169.799 1.00 11.04 N ATOM 1240 CA ASN A 137 19.519 7.032 170.692 1.00 13.08 C ATOM 1241 C ASN A 137 19.910 8.327 169.978 1.00 12.05 C ATOM 1242 O ASN A 137 19.449 8.585 168.862 1.00 13.14 O ATOM 1243 CB ASN A 137 20.722 6.166 171.154 1.00 16.58 C ATOM 1244 CG ASN A 137 21.719 5.818 170.041 1.00 17.21 C ATOM 1245 OD1 ASN A 137 21.672 6.340 168.934 1.00 18.16 O ATOM 1246 ND2 ASN A 137 22.685 4.952 170.387 1.00 20.13 N ATOM 1247 HD22 ASN A 137 22.689 4.530 171.338 1.00 0.00 H ATOM 1248 HD21 ASN A 137 23.429 4.703 169.704 1.00 0.00 H ATOM 1249 H ASN A 137 19.067 5.614 169.135 1.00 0.00 H ATOM 1250 N TYR A 138 20.727 9.166 170.631 1.00 11.37 N ATOM 1251 CA TYR A 138 21.025 10.456 170.025 1.00 11.83 C ATOM 1252 C TYR A 138 21.776 10.291 168.713 1.00 14.71 C ATOM 1253 O TYR A 138 21.448 10.956 167.720 1.00 13.77 O ATOM 1254 CB TYR A 138 21.807 11.340 170.989 1.00 11.82 C ATOM 1255 CG TYR A 138 22.023 12.736 170.438 1.00 14.13 C ATOM 1256 CD1 TYR A 138 20.952 13.574 170.172 1.00 14.00 C ATOM 1257 CD2 TYR A 138 23.301 13.225 170.201 1.00 18.38 C ATOM 1258 CE1 TYR A 138 21.130 14.838 169.647 1.00 20.40 C ATOM 1259 CE2 TYR A 138 23.488 14.490 169.682 1.00 22.94 C ATOM 1260 CZ TYR A 138 22.403 15.298 169.427 1.00 22.87 C ATOM 1261 OH TYR A 138 22.584 16.559 168.905 1.00 28.16 O ATOM 1262 HH TYR A 138 21.703 16.995 168.787 1.00 0.00 H ATOM 1263 H TYR A 138 21.138 8.902 171.549 1.00 0.00 H ATOM 1264 N GLU A 139 22.769 9.386 168.669 1.00 15.87 N ATOM 1265 CA GLU A 139 23.539 9.252 167.436 1.00 22.77 C ATOM 1266 C GLU A 139 22.647 8.862 166.267 1.00 15.25 C ATOM 1267 O GLU A 139 22.774 9.402 165.162 1.00 16.22 O ATOM 1268 CB GLU A 139 24.657 8.228 167.617 1.00 19.67 C ATOM 1269 CG GLU A 139 25.362 7.885 166.312 1.00 19.55 C ATOM 1270 CD GLU A 139 26.203 9.011 165.750 1.00 21.33 C ATOM 1271 OE1 GLU A 139 26.603 9.913 166.515 1.00 27.31 O ATOM 1272 OE2 GLU A 139 26.482 8.978 164.531 1.00 27.08 O ATOM 1273 H GLU A 139 22.984 8.794 169.496 1.00 0.00 H ATOM 1274 N GLU A 140 21.739 7.903 166.485 1.00 15.16 N ATOM 1275 CA GLU A 140 20.820 7.510 165.435 1.00 13.80 C ATOM 1276 C GLU A 140 19.918 8.667 165.046 1.00 17.32 C ATOM 1277 O GLU A 140 19.615 8.855 163.864 1.00 16.47 O ATOM 1278 CB GLU A 140 19.987 6.312 165.893 1.00 18.23 C ATOM 1279 CG GLU A 140 20.839 5.072 166.085 1.00 12.20 C ATOM 1280 CD GLU A 140 20.173 3.949 166.931 1.00 16.08 C ATOM 1281 OE1 GLU A 140 19.405 4.242 167.869 1.00 15.74 O ATOM 1282 OE2 GLU A 140 20.426 2.763 166.654 1.00 16.22 O ATOM 1283 H GLU A 140 21.693 7.437 167.414 1.00 0.00 H ATOM 1284 N PHE A 141 19.516 9.468 166.033 1.00 15.85 N ATOM 1285 CA PHE A 141 18.663 10.618 165.778 1.00 15.98 C ATOM 1286 C PHE A 141 19.376 11.644 164.929 1.00 15.00 C ATOM 1287 O PHE A 141 18.791 12.160 163.968 1.00 14.64 O ATOM 1288 CB PHE A 141 18.230 11.252 167.096 1.00 16.53 C ATOM 1289 CG PHE A 141 17.159 12.296 166.958 1.00 12.53 C ATOM 1290 CD1 PHE A 141 15.848 11.909 166.773 1.00 12.15 C ATOM 1291 CD2 PHE A 141 17.456 13.643 167.062 1.00 17.18 C ATOM 1292 CE1 PHE A 141 14.814 12.854 166.702 1.00 15.64 C ATOM 1293 CE2 PHE A 141 16.446 14.606 166.971 1.00 13.69 C ATOM 1294 CZ PHE A 141 15.123 14.207 166.787 1.00 14.70 C ATOM 1295 H PHE A 141 19.819 9.266 167.007 1.00 0.00 H ATOM 1296 N VAL A 142 20.646 11.928 165.257 1.00 16.56 N ATOM 1297 CA VAL A 142 21.407 12.914 164.490 1.00 15.91 C ATOM 1298 C VAL A 142 21.510 12.470 163.046 1.00 19.74 C ATOM 1299 O VAL A 142 21.283 13.255 162.112 1.00 21.31 O ATOM 1300 CB VAL A 142 22.795 13.120 165.126 1.00 20.37 C ATOM 1301 CG1 VAL A 142 23.663 14.001 164.226 1.00 26.46 C ATOM 1302 CG2 VAL A 142 22.661 13.751 166.489 1.00 21.53 C ATOM 1303 H VAL A 142 21.092 11.444 166.062 1.00 0.00 H ATOM 1304 N GLN A 143 21.802 11.184 162.832 1.00 18.69 N ATOM 1305 CA GLN A 143 21.941 10.681 161.474 1.00 21.02 C ATOM 1306 C GLN A 143 20.652 10.860 160.688 1.00 19.63 C ATOM 1307 O GLN A 143 20.683 11.254 159.516 1.00 20.92 O ATOM 1308 CB GLN A 143 22.374 9.212 161.506 1.00 21.33 C ATOM 1309 CG GLN A 143 23.839 9.083 161.929 1.00 19.92 C ATOM 1310 CD GLN A 143 24.420 7.736 161.572 1.00 18.64 C ATOM 1311 OE1 GLN A 143 24.030 7.124 160.586 1.00 22.73 O ATOM 1312 NE2 GLN A 143 25.336 7.261 162.388 1.00 20.40 N ATOM 1313 HE22 GLN A 143 25.636 7.818 163.214 1.00 0.00 H ATOM 1314 HE21 GLN A 143 25.760 6.329 162.207 1.00 0.00 H ATOM 1315 H GLN A 143 21.930 10.540 163.639 1.00 0.00 H HETATM 1316 N MSE A 144 19.513 10.581 161.320 1.00 16.04 N HETATM 1317 CA MSE A 144 18.215 10.793 160.720 1.00 14.94 C HETATM 1318 C MSE A 144 18.028 12.236 160.288 1.00 20.75 C HETATM 1319 O MSE A 144 17.660 12.504 159.143 1.00 29.78 O HETATM 1320 CB MSE A 144 17.104 10.468 161.689 1.00 25.00 C HETATM 1321 CG MSE A 144 15.753 10.679 161.059 1.00 25.00 C HETATM 1322 SE MSE A 144 14.357 9.994 162.163 1.00 34.70 S HETATM 1323 CE MSE A 144 14.467 11.422 163.469 1.00 27.46 C HETATM 1324 H MSE A 144 19.559 10.195 162.285 1.00 0.00 H HETATM 1325 N MSE A 145 18.254 13.153 161.222 1.00 20.73 N HETATM 1326 CA MSE A 145 17.980 14.584 160.959 1.00 21.23 C HETATM 1327 C MSE A 145 18.932 15.200 159.957 1.00 35.53 C HETATM 1328 O MSE A 145 18.581 16.198 159.322 1.00 32.56 O HETATM 1329 CB MSE A 145 18.026 15.412 162.247 1.00 25.00 C HETATM 1330 CG MSE A 145 17.025 14.956 163.281 1.00 25.00 C HETATM 1331 SE MSE A 145 15.167 15.209 162.636 1.00 38.68 S HETATM 1332 CE MSE A 145 14.830 16.823 163.597 1.00 42.77 C HETATM 1333 H MSE A 145 18.628 12.863 162.148 1.00 0.00 H ATOM 1334 N THR A 146 20.132 14.643 159.820 1.00 23.86 N ATOM 1335 CA THR A 146 21.105 15.154 158.849 1.00 32.00 C ATOM 1336 C THR A 146 21.152 14.252 157.619 1.00 32.86 C ATOM 1337 O THR A 146 22.160 13.604 157.316 1.00 48.09 O ATOM 1338 CB THR A 146 22.488 15.291 159.481 1.00 30.48 C ATOM 1339 OG1 THR A 146 22.995 13.991 159.811 1.00 39.07 O ATOM 1340 CG2 THR A 146 22.431 16.149 160.732 1.00 34.06 C ATOM 1341 HG1 THR A 146 23.061 13.445 158.988 1.00 0.00 H ATOM 1342 H THR A 146 20.386 13.828 160.414 1.00 0.00 H ATOM 1343 N ALA A 147 20.015 14.220 156.928 1.00 51.98 N ATOM 1344 CA ALA A 147 19.825 13.456 155.696 1.00 45.17 C ATOM 1345 C ALA A 147 19.962 11.970 155.968 1.00 30.88 C ATOM 1346 O ALA A 147 18.989 11.319 156.368 1.00 57.18 O ATOM 1347 CB ALA A 147 20.824 13.914 154.607 1.00 40.54 C ATOM 1348 H ALA A 147 19.211 14.773 157.287 1.00 0.00 H TER 1349 ALA A 147 HETATM 1350 CA CA A 1 5.129 32.056 149.486 1.00 27.10 CA HETATM 1351 CA CA A 2 13.246 7.925 176.566 1.00 12.94 CA HETATM 1352 CA CA A 3 18.867 1.995 168.462 1.00 13.21 CA HETATM 1353 CA CA A 4 -2.921 26.602 155.839 1.00 28.63 CA HETATM 1354 O HOH 5 5.469 29.464 145.267 1.00 42.46 O HETATM 1355 O HOH 6 24.122 21.947 171.808 1.00 30.61 O HETATM 1356 O HOH 7 21.833 21.211 174.643 1.00 30.34 O HETATM 1357 O HOH 8 7.971 36.629 154.163 1.00 33.02 O HETATM 1358 O HOH 9 5.312 9.970 145.852 1.00 38.39 O HETATM 1359 O HOH 10 22.387 2.201 177.638 1.00 28.21 O HETATM 1360 O HOH 11 1.798 3.491 169.484 1.00 28.22 O HETATM 1361 O HOH 12 -4.009 28.426 156.420 1.00 35.40 O HETATM 1362 O HOH 13 14.392 -2.143 165.334 1.00 31.67 O HETATM 1363 O HOH 14 0.144 24.629 169.800 1.00 19.04 O HETATM 1364 O HOH 15 3.069 11.305 147.239 1.00 36.62 O HETATM 1365 O HOH 16 20.080 25.076 175.449 1.00 25.62 O HETATM 1366 O HOH 17 -3.654 30.091 159.181 1.00 29.87 O HETATM 1367 O HOH 18 11.229 40.479 161.406 1.00 36.45 O HETATM 1368 O HOH 19 4.724 35.800 156.936 1.00 28.61 O HETATM 1369 O HOH 20 5.182 26.083 173.882 1.00 24.21 O HETATM 1370 O HOH 21 10.370 0.321 159.314 1.00 31.85 O HETATM 1371 O HOH 22 13.074 3.716 177.042 1.00 21.29 O HETATM 1372 O HOH 23 0.555 20.892 166.193 1.00 20.99 O HETATM 1373 O HOH 24 1.257 24.199 148.206 1.00 30.06 O HETATM 1374 O HOH 25 20.076 2.701 170.532 1.00 17.63 O HETATM 1375 O HOH 26 12.276 6.055 177.299 1.00 16.66 O HETATM 1376 O HOH 27 26.147 23.641 165.590 1.00 32.11 O HETATM 1377 O HOH 28 -0.763 34.260 159.845 1.00 31.24 O HETATM 1378 O HOH 29 20.430 12.071 176.766 1.00 15.98 O HETATM 1379 O HOH 30 4.829 30.896 170.462 1.00 19.21 O HETATM 1380 O HOH 31 9.276 5.577 176.987 1.00 27.13 O HETATM 1381 O HOH 32 10.644 1.442 171.245 1.00 21.51 O HETATM 1382 O HOH 33 -0.887 -0.255 160.108 1.00 31.63 O HETATM 1383 O HOH 34 21.506 0.245 173.041 1.00 21.82 O HETATM 1384 O HOH 35 17.876 13.275 176.450 1.00 25.21 O HETATM 1385 O HOH 36 18.442 2.606 159.364 1.00 38.28 O HETATM 1386 O HOH 37 21.515 9.015 173.427 1.00 14.90 O HETATM 1387 O HOH 38 -3.118 1.230 166.348 1.00 32.18 O HETATM 1388 O HOH 39 18.957 6.932 161.871 1.00 20.82 O HETATM 1389 O HOH 40 7.637 11.973 173.826 1.00 26.81 O HETATM 1390 O HOH 41 -1.815 20.436 152.363 1.00 40.23 O HETATM 1391 O HOH 42 18.571 13.515 180.707 1.00 25.92 O HETATM 1392 O HOH 43 3.901 30.974 148.332 1.00 37.73 O HETATM 1393 O HOH 44 3.625 30.468 174.986 1.00 31.74 O HETATM 1394 O HOH 45 3.919 1.441 169.219 1.00 37.28 O HETATM 1395 O HOH 46 -1.421 19.850 170.367 1.00 29.23 O HETATM 1396 O HOH 47 14.537 15.343 177.615 1.00 28.06 O HETATM 1397 O HOH 48 -5.107 26.486 160.150 1.00 31.35 O HETATM 1398 O HOH 49 -0.387 9.609 167.359 1.00 34.66 O HETATM 1399 O HOH 50 21.926 11.427 174.517 1.00 17.59 O HETATM 1400 O HOH 51 -3.786 7.850 165.967 1.00 33.01 O HETATM 1401 O HOH 52 7.347 36.664 156.565 1.00 36.78 O HETATM 1402 O HOH 53 1.174 33.640 157.213 1.00 31.54 O HETATM 1403 O HOH 54 24.203 8.011 170.905 1.00 24.38 O HETATM 1404 O HOH 55 17.678 25.097 172.931 1.00 38.19 O HETATM 1405 O HOH 56 11.496 38.700 168.792 1.00 34.69 O HETATM 1406 O HOH 57 4.371 23.407 175.011 1.00 31.88 O HETATM 1407 O HOH 58 3.102 37.636 158.489 1.00 25.19 O HETATM 1408 O HOH 59 15.727 12.123 183.518 1.00 32.65 O HETATM 1409 O HOH 60 16.015 10.737 156.851 1.00 40.19 O HETATM 1410 O HOH 61 17.530 4.571 156.925 1.00 35.42 O HETATM 1411 O HOH 62 7.548 1.964 173.734 1.00 23.03 O HETATM 1412 O HOH 63 15.656 -5.504 165.823 1.00 33.97 O HETATM 1413 O HOH 64 13.214 4.575 181.258 1.00 37.45 O HETATM 1414 O HOH 65 8.649 8.239 178.647 1.00 30.57 O HETATM 1415 O HOH 66 18.852 17.149 156.308 1.00 38.83 O HETATM 1416 O HOH 67 9.115 -0.414 168.138 1.00 33.65 O HETATM 1417 O HOH 68 7.057 11.007 176.130 1.00 28.58 O HETATM 1418 O HOH 69 11.189 -2.071 170.397 1.00 30.57 O HETATM 1419 O HOH 70 -0.593 14.275 145.506 1.00 41.51 O HETATM 1420 O HOH 71 25.645 16.506 167.238 1.00 35.86 O HETATM 1421 O HOH 72 9.215 41.617 161.689 1.00 38.25 O HETATM 1422 O HOH 73 4.814 34.451 171.957 1.00 32.10 O HETATM 1423 O HOH 74 -3.399 20.945 166.195 1.00 35.12 O HETATM 1424 O HOH 75 8.282 10.164 180.740 1.00 39.78 O HETATM 1425 O HOH 76 25.519 10.338 170.946 1.00 25.89 O HETATM 1426 O HOH 77 -3.762 18.277 169.260 1.00 38.36 O HETATM 1427 O HOH 78 11.134 11.769 183.951 1.00 37.46 O HETATM 1428 O HOH 79 9.594 13.755 183.362 1.00 38.08 O HETATM 1429 O HOH 80 19.802 6.828 159.425 1.00 25.69 O HETATM 1430 O HOH 81 -1.213 35.031 156.968 1.00 34.92 O HETATM 1431 O HOH 82 23.733 7.368 173.885 1.00 21.67 O HETATM 1432 O HOH 83 26.865 14.433 167.383 1.00 36.04 O HETATM 1433 C1 KN A 9 4.998 6.052 155.900 1.00 -0.04 C HETATM 1434 N1 KN A 9 5.731 7.199 156.406 1.00 0.24 N HETATM 1435 C11 KN A 9 6.330 6.910 157.702 1.00 -0.00 C HETATM 1436 C12 KN A 9 7.504 5.939 157.569 1.00 0.02 C HETATM 1437 C13 KN A 9 7.326 4.609 157.911 1.00 -0.07 C HETATM 1438 C14 KN A 9 8.373 3.712 157.796 1.00 -0.09 C HETATM 1439 C15 KN A 9 9.608 4.129 157.351 1.00 -0.08 C HETATM 1440 C16 KN A 9 9.798 5.457 157.014 1.00 -0.05 C HETATM 1441 C17 KN A 9 8.750 6.362 157.111 1.00 0.07 C HETATM 1442 N2 KN A 9 9.024 7.740 156.765 1.00 -0.18 N HETATM 1443 C18 KN A 9 8.989 8.240 155.401 1.00 0.08 C HETATM 1444 C27 KN A 9 8.155 7.338 154.499 1.00 0.07 C HETATM 1445 O1 KN A 9 7.085 7.716 154.157 1.00 -0.39 O HETATM 1446 H32 KN A 9 6.681 7.059 153.603 1.00 0.21 H HETATM 1447 H22 KN A 9 8.008 6.389 155.035 1.00 0.06 H HETATM 1448 H23 KN A 9 8.743 7.157 153.587 1.00 0.06 H HETATM 1449 H11 KN A 9 8.551 9.249 155.401 1.00 0.06 H HETATM 1450 H12 KN A 9 10.016 8.286 155.010 1.00 0.06 H HETATM 1451 S KN A 9 9.475 8.780 158.038 1.00 0.09 S HETATM 1452 C19 KN A 9 11.159 8.328 158.547 1.00 0.10 C HETATM 1453 C20 KN A 9 11.338 7.555 159.687 1.00 -0.04 C HETATM 1454 C21 KN A 9 12.621 7.188 160.085 1.00 -0.03 C HETATM 1455 C22 KN A 9 13.724 7.581 159.352 1.00 0.09 C HETATM 1456 C23 KN A 9 13.544 8.353 158.218 1.00 -0.03 C HETATM 1457 C24 KN A 9 12.268 8.713 157.817 1.00 -0.04 C HETATM 1458 H18 KN A 9 12.137 9.305 156.918 1.00 0.06 H HETATM 1459 H17 KN A 9 14.403 8.677 157.642 1.00 0.05 H HETATM 1460 O25 KN A 9 15.012 7.213 159.769 1.00 -0.32 O HETATM 1461 C26 KN A 9 16.032 7.404 158.828 1.00 0.06 C HETATM 1462 H19 KN A 9 16.992 7.084 159.258 1.00 0.06 H HETATM 1463 H20 KN A 9 16.087 8.469 158.558 1.00 0.06 H HETATM 1464 H21 KN A 9 15.817 6.809 157.928 1.00 0.06 H HETATM 1465 H16 KN A 9 12.755 6.588 160.978 1.00 0.05 H HETATM 1466 H15 KN A 9 10.479 7.237 160.267 1.00 0.06 H HETATM 1467 O2 KN A 9 9.340 10.338 157.511 1.00 -0.15 O HETATM 1468 O3 KN A 9 8.489 8.531 159.340 1.00 -0.15 O HETATM 1469 H10 KN A 9 10.770 5.793 156.672 1.00 0.05 H HETATM 1470 H9 KN A 9 10.425 3.422 157.266 1.00 0.05 H HETATM 1471 H8 KN A 9 8.220 2.671 158.059 1.00 0.05 H HETATM 1472 H7 KN A 9 6.362 4.269 158.271 1.00 0.05 H HETATM 1473 H5 KN A 9 6.691 7.849 158.147 1.00 0.09 H HETATM 1474 H6 KN A 9 5.568 6.463 158.357 1.00 0.09 H HETATM 1475 C2 KN A 9 4.791 8.298 156.535 1.00 -0.03 C HETATM 1476 C3 KN A 9 5.540 9.592 156.834 1.00 -0.00 C HETATM 1477 C4 KN A 9 4.819 10.283 157.986 1.00 -0.01 C HETATM 1478 C5 KN A 9 5.608 11.510 158.433 1.00 -0.04 C HETATM 1479 C10 KN A 9 5.243 12.182 159.591 1.00 -0.06 C HETATM 1480 C9 KN A 9 5.943 13.300 160.016 1.00 -0.05 C HETATM 1481 C8 KN A 9 7.020 13.748 159.264 1.00 0.03 C HETATM 1482 C7 KN A 9 7.382 13.077 158.105 1.00 -0.05 C HETATM 1483 C6 KN A 9 6.677 11.959 157.686 1.00 -0.06 C HETATM 1484 H28 KN A 9 6.964 11.441 156.778 1.00 0.06 H HETATM 1485 H29 KN A 9 8.224 13.430 157.521 1.00 0.06 H HETATM 1486 CL KN A 9 7.953 15.187 159.766 1.00 -0.08 CL HETATM 1487 H30 KN A 9 5.653 13.818 160.923 1.00 0.06 H HETATM 1488 H4 KN A 9 4.399 11.828 160.171 1.00 0.06 H HETATM 1489 H26 KN A 9 4.725 9.583 158.829 1.00 0.04 H HETATM 1490 H27 KN A 9 3.817 10.595 157.655 1.00 0.04 H HETATM 1491 H24 KN A 9 5.537 10.241 155.946 1.00 0.03 H HETATM 1492 H25 KN A 9 6.578 9.367 157.121 1.00 0.03 H HETATM 1493 H13 KN A 9 4.231 8.410 155.595 1.00 0.08 H HETATM 1494 H14 KN A 9 4.091 8.084 157.356 1.00 0.08 H HETATM 1495 H31 KN A 9 6.459 7.447 155.755 1.00 0.20 H HETATM 1496 H1 KN A 9 5.683 5.199 155.790 1.00 0.08 H HETATM 1497 H2 KN A 9 4.560 6.299 154.922 1.00 0.08 H HETATM 1498 H3 KN A 9 4.196 5.790 156.605 1.00 0.08 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 158 157 1353 CONECT 180 179 1353 CONECT 194 193 1353 CONECT 205 204 1353 CONECT 292 286 293 300 CONECT 293 292 294 296 CONECT 294 293 295 301 CONECT 295 294 CONECT 296 293 297 CONECT 297 296 298 CONECT 298 297 299 CONECT 299 298 CONECT 300 292 CONECT 435 428 436 443 CONECT 436 435 437 439 CONECT 437 436 438 444 CONECT 438 437 CONECT 439 436 440 CONECT 440 439 441 CONECT 441 440 442 CONECT 442 441 CONECT 443 435 CONECT 488 487 1350 CONECT 503 502 1350 CONECT 517 516 1350 CONECT 530 529 1350 CONECT 613 606 614 621 CONECT 614 613 615 617 CONECT 615 614 616 622 CONECT 616 615 CONECT 617 614 618 CONECT 618 617 619 CONECT 619 618 620 CONECT 620 619 CONECT 621 613 CONECT 622 615 623 630 CONECT 623 622 624 626 CONECT 624 623 625 631 CONECT 625 624 CONECT 626 623 627 CONECT 627 626 628 CONECT 628 627 629 CONECT 629 628 CONECT 630 622 CONECT 838 837 1351 CONECT 860 859 1351 CONECT 874 873 1351 CONECT 887 886 1351 CONECT 982 976 983 990 CONECT 983 982 984 986 CONECT 984 983 985 991 CONECT 985 984 CONECT 986 983 987 CONECT 987 986 988 CONECT 988 987 989 CONECT 989 988 CONECT 990 982 CONECT 1122 1114 1123 1130 CONECT 1123 1122 1124 1126 CONECT 1124 1123 1125 1131 CONECT 1125 1124 CONECT 1126 1123 1127 CONECT 1127 1126 1128 CONECT 1128 1127 1129 CONECT 1129 1128 CONECT 1130 1122 CONECT 1179 1178 1352 CONECT 1197 1196 1352 CONECT 1211 1210 1352 CONECT 1222 1221 1352 CONECT 1316 1306 1317 1324 CONECT 1317 1316 1318 1320 CONECT 1318 1317 1319 1325 CONECT 1319 1318 CONECT 1320 1317 1321 CONECT 1321 1320 1322 CONECT 1322 1321 1323 CONECT 1323 1322 CONECT 1324 1316 CONECT 1325 1318 1326 1333 CONECT 1326 1325 1327 1329 CONECT 1327 1326 1328 1334 CONECT 1328 1327 CONECT 1329 1326 1330 CONECT 1330 1329 1331 CONECT 1331 1330 1332 CONECT 1332 1331 CONECT 1333 1325 CONECT 1350 488 503 517 530 CONECT 1351 838 860 874 887 CONECT 1352 1179 1197 1211 1222 CONECT 1353 158 180 194 205 CONECT 1433 1434 1496 1497 1498 CONECT 1434 1433 1435 1475 1495 CONECT 1435 1434 1436 1473 1474 CONECT 1436 1435 1437 1441 CONECT 1437 1436 1438 1472 CONECT 1438 1437 1439 1471 CONECT 1439 1438 1440 1470 CONECT 1440 1439 1441 1469 CONECT 1441 1436 1440 1442 CONECT 1442 1441 1443 1451 CONECT 1443 1442 1444 1449 1450 CONECT 1444 1443 1445 1447 1448 CONECT 1445 1444 1446 CONECT 1446 1445 CONECT 1447 1444 CONECT 1448 1444 CONECT 1449 1443 CONECT 1450 1443 CONECT 1451 1442 1452 1467 1468 CONECT 1452 1451 1453 1457 CONECT 1453 1452 1454 1466 CONECT 1454 1453 1455 1465 CONECT 1455 1454 1456 1460 CONECT 1456 1455 1457 1459 CONECT 1457 1452 1456 1458 CONECT 1458 1457 CONECT 1459 1456 CONECT 1460 1455 1461 CONECT 1461 1460 1462 1463 1464 CONECT 1462 1461 CONECT 1463 1461 CONECT 1464 1461 CONECT 1465 1454 CONECT 1466 1453 CONECT 1467 1451 CONECT 1468 1451 CONECT 1469 1440 CONECT 1470 1439 CONECT 1471 1438 CONECT 1472 1437 CONECT 1473 1435 CONECT 1474 1435 CONECT 1475 1434 1476 1493 1494 CONECT 1476 1475 1477 1491 1492 CONECT 1477 1476 1478 1489 1490 CONECT 1478 1477 1479 1483 CONECT 1479 1478 1480 1488 CONECT 1480 1479 1481 1487 CONECT 1481 1480 1482 1486 CONECT 1482 1481 1483 1485 CONECT 1483 1478 1482 1484 CONECT 1484 1483 CONECT 1485 1482 CONECT 1486 1481 CONECT 1487 1480 CONECT 1488 1479 CONECT 1489 1477 CONECT 1490 1477 CONECT 1491 1476 CONECT 1492 1476 CONECT 1493 1475 CONECT 1494 1475 CONECT 1495 1434 CONECT 1496 1433 CONECT 1497 1433 CONECT 1498 1433 MASTER 0 0 0 0 0 0 0 0 1497 1 162 12 END
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Structure:
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Related entries of code: 6m7h
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PDBbind
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RCSB PDB
PDBbind
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6mba
RCSB PDB
PDBbind
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6m7h
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CaMKII
Ligand Name
KN9
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
IC50=20uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Cell Calcium Vol. 82: pp. 102063-102063
Ligand Properties
Formula
C
2
6
H
3
2
ClN
2
O
4
S
Molecular Weight
504.061
Exact Mass
503.177
No. of atoms
66
No. of bonds
68
Polar Surface Area
79.66
LOGP Value
4.69 (
Computed with XLOGP3
)
4.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
OCCN(S(=O)(=O)c1ccc(cc1)OC)c1ccccc1C[N@H+](CCCc1ccc(cc1)Cl)C
InChI String
InChI=1S/C26H31ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-4,7-16,30H,5-6,17-20H2,1-2H3/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0DP23
Entrez Gene ID
NCBI Entrez Gene ID:
801
805
808
ASD
Information of known allosteric effects of PDB entries
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